2-[3-(1-phenacyl-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-4-ium-3-yl)-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-4-ium-1-yl]-1-phenyl-ethanone

Systemtic Name: 2-[3-(1-phenacyl-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-4-ium-3-yl)-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-4-ium-1-yl]-1-phenyl-ethanone Openeye Name: 2-[3-(1-phenacyl-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-4-ium-3-yl)-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-4-ium-1-yl]-1-phenyl-ethanone CAS Name: 2-[3-(1-phenacyl-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-4-ium-3-yl)-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-4-ium-1-yl]-1-phenylethanone IUPAC Name: 2-[3-(1-phenacyl-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-4-ium-3-yl)-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-4-ium-1-yl]-1-phenylethanone Traditional Name: 2-[3-(1-phenacyl-6,7,8,9-tetrahydro-5H-[1,2,4]triazol[4,3-a]azepin-4-ium-3-yl)-6,7,8,9-tetrahydro-5H-[1,2,4]triazol[4,3-a]azepin-4-ium-1-yl]-1-phenyl-ethanone Formula: C30H34N6O2+2 MolecularWeight: 510.62996

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=[N+](CC1)C(=NN2CC(=O)C3=CC=CC=C3)C4=NN(C5=[N+]4CCCCC5)CC(=O)C6=CC=CC=C6

Isomeric SMILES

C1CCC2=[N+](CC1)C(=NN2CC(=O)C3=CC=CC=C3)C4=NN(C5=[N+]4CCCCC5)CC(=O)C6=CC=CC=C6

InChI

InChI=1S/C30H34N6O2/c37-25(23-13-5-1-6-14-23)21-35-27-17-9-3-11-19-33(27)29(31-35)30-32-36(28-18-10-4-12-20-34(28)30)22-26(38)24-15-7-2-8-16-24/h1-2,5-8,13-16H,3-4,9-12,17-22H2/q+2