4-[[4-[(2-oxidanylidene-1H-quinolin-3-yl)carbonyl]-1,4-diazepan-1-ium-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 4-[[4-[(2-oxidanylidene-1H-quinolin-3-yl)carbonyl]-1,4-diazepan-1-ium-1-yl]methyl]benzenecarbonitrile Openeye Name: 4-[[4-(2-oxo-1H-quinoline-3-carbonyl)-1,4-diazepan-1-ium-1-yl]methyl]benzonitrile CAS Name: 4-[[4-[oxo-(2-oxo-1H-quinolin-3-yl)methyl]-1,4-diazepan-1-ium-1-yl]methyl]benzonitrile IUPAC Name: 4-[[4-(2-oxo-1H-quinoline-3-carbonyl)-1,4-diazepan-1-ium-1-yl]methyl]benzonitrile Traditional Name: 4-[[4-(2-keto-1H-quinoline-3-carbonyl)-1,4-diazepan-1-ium-1-yl]methyl]benzonitrile Formula: C23H23N4O2+ MolecularWeight: 387.45432

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCN(C1)C(=O)C2=CC3=CC=CC=C3NC2=O)CC4=CC=C(C=C4)C#N

Isomeric SMILES

C1C[NH+](CCN(C1)C(=O)C2=CC3=CC=CC=C3NC2=O)CC4=CC=C(C=C4)C#N

InChI

InChI=1S/C23H22N4O2/c24-15-17-6-8-18(9-7-17)16-26-10-3-11-27(13-12-26)23(29)20-14-19-4-1-2-5-21(19)25-22(20)28/h1-2,4-9,14H,3,10-13,16H2,(H,25,28)/p+1