2-phenyl-3-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]-1H-indole

Systemtic Name: 2-phenyl-3-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]-1H-indole Openeye Name: 2-phenyl-3-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]-1H-indole CAS Name: 2-phenyl-3-[[4-(2-pyridin-1-iumyl)-1-piperazin-1-iumyl]methyl]-1H-indole IUPAC Name: 2-phenyl-3-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]-1H-indole Traditional Name: 2-phenyl-3-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]-1H-indole Formula: C24H26N4+2 MolecularWeight: 370.49004

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=C(NC3=CC=CC=C32)C4=CC=CC=C4)C5=CC=CC=[NH+]5

Isomeric SMILES

C1CN(CC[NH+]1CC2=C(NC3=CC=CC=C32)C4=CC=CC=C4)C5=CC=CC=[NH+]5

InChI

InChI=1S/C24H24N4/c1-2-8-19(9-3-1)24-21(20-10-4-5-11-22(20)26-24)18-27-14-16-28(17-15-27)23-12-6-7-13-25-23/h1-13,26H,14-18H2/p+2