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

Systemtic Name: 2-(2-methyl-1H-indol-3-yl)-1-[7-[(4-pyridin-1-ium-2-ylpiperazin-1-yl)methyl]-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]ethanone Openeye Name: 2-(2-methyl-1H-indol-3-yl)-1-[7-[(4-pyridin-1-ium-2-ylpiperazin-1-yl)methyl]-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]ethanone CAS Name: 2-(2-methyl-1H-indol-3-yl)-1-[7-[[4-(2-pyridin-1-iumyl)-1-piperazinyl]methyl]-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]ethanone IUPAC Name: 2-(2-methyl-1H-indol-3-yl)-1-[7-[(4-pyridin-1-ium-2-ylpiperazin-1-yl)methyl]-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]ethanone Traditional Name: 2-(2-methyl-1H-indol-3-yl)-1-[7-[(4-pyridin-1-ium-2-ylpiperazino)methyl]-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]ethanone Formula: C30H34N5O2+ MolecularWeight: 496.62326

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=CC=CC=C2N1)CC(=O)N3CCOC4=C(C3)C=C(C=C4)CN5CCN(CC5)C6=CC=CC=[NH+]6

Isomeric SMILES

CC1=C(C2=CC=CC=C2N1)CC(=O)N3CCOC4=C(C3)C=C(C=C4)CN5CCN(CC5)C6=CC=CC=[NH+]6

InChI

InChI=1S/C30H33N5O2/c1-22-26(25-6-2-3-7-27(25)32-22)19-30(36)35-16-17-37-28-10-9-23(18-24(28)21-35)20-33-12-14-34(15-13-33)29-8-4-5-11-31-29/h2-11,18,32H,12-17,19-21H2,1H3/p+1