3-(1H-indol-3-yl)-1-[7-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]propan-1-one

Systemtic Name: 3-(1H-indol-3-yl)-1-[7-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]propan-1-one Openeye Name: 3-(1H-indol-3-yl)-1-[7-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]propan-1-one CAS Name: 3-(1H-indol-3-yl)-1-[7-[[4-(2-pyridin-1-iumyl)-1-piperazin-1-iumyl]methyl]-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-1-propanone IUPAC Name: 3-(1H-indol-3-yl)-1-[7-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]propan-1-one Traditional Name: 3-(1H-indol-3-yl)-1-[7-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]propan-1-one Formula: C30H35N5O2+2 MolecularWeight: 497.6312

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC3=C(C=C2)OCCN(C3)C(=O)CCC4=CNC5=CC=CC=C54)C6=CC=CC=[NH+]6

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC3=C(C=C2)OCCN(C3)C(=O)CCC4=CNC5=CC=CC=C54)C6=CC=CC=[NH+]6

InChI

InChI=1S/C30H33N5O2/c36-30(11-9-24-20-32-27-6-2-1-5-26(24)27)35-17-18-37-28-10-8-23(19-25(28)22-35)21-33-13-15-34(16-14-33)29-7-3-4-12-31-29/h1-8,10,12,19-20,32H,9,11,13-18,21-22H2/p+2