1-(phenylmethyl)-3-[2-(3,4,5,6-tetrahydro-2H-azepin-7-yl)hydrazinyl]indol-1-ium-2-one

Systemtic Name: 1-(phenylmethyl)-3-[2-(3,4,5,6-tetrahydro-2H-azepin-7-yl)hydrazinyl]indol-1-ium-2-one Openeye Name: 1-benzyl-3-[2-(3,4,5,6-tetrahydro-2H-azepin-7-yl)hydrazino]indol-1-ium-2-one CAS Name: 1-(phenylmethyl)-3-(3,4,5,6-tetrahydro-2H-azepin-7-ylhydrazo)-2-indol-1-iumone IUPAC Name: 1-benzyl-3-[2-(3,4,5,6-tetrahydro-2H-azepin-7-yl)hydrazinyl]indol-1-ium-2-one Traditional Name: 1-benzyl-3-[N'-(3,4,5,6-tetrahydro-2H-azepin-7-yl)hydrazino]indol-1-ium-2-one Formula: C21H23N4O+ MolecularWeight: 347.43352

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=NCC1)NNC2=C3C=CC=CC3=[N+](C2=O)CC4=CC=CC=C4

Isomeric SMILES

C1CCC(=NCC1)NNC2=C3C=CC=CC3=[N+](C2=O)CC4=CC=CC=C4

InChI

InChI=1S/C21H22N4O/c26-21-20(24-23-19-13-5-2-8-14-22-19)17-11-6-7-12-18(17)25(21)15-16-9-3-1-4-10-16/h1,3-4,6-7,9-12H,2,5,8,13-15H2,(H,22,23,26)/p+1