4-[[4-(phenylcarbonyl)-1,4-diazepan-1-ium-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 4-[[4-(phenylcarbonyl)-1,4-diazepan-1-ium-1-yl]methyl]benzenecarbonitrile Openeye Name: 4-[(4-benzoyl-1,4-diazepan-1-ium-1-yl)methyl]benzonitrile CAS Name: 4-[(4-benzoyl-1,4-diazepan-1-ium-1-yl)methyl]benzonitrile IUPAC Name: 4-[(4-benzoyl-1,4-diazepan-1-ium-1-yl)methyl]benzonitrile Traditional Name: 4-[(4-benzoyl-1,4-diazepan-1-ium-1-yl)methyl]benzonitrile Formula: C20H22N3O+ MolecularWeight: 320.40818

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCN(C1)C(=O)C2=CC=CC=C2)CC3=CC=C(C=C3)C#N

Isomeric SMILES

C1C[NH+](CCN(C1)C(=O)C2=CC=CC=C2)CC3=CC=C(C=C3)C#N

InChI

InChI=1S/C20H21N3O/c21-15-17-7-9-18(10-8-17)16-22-11-4-12-23(14-13-22)20(24)19-5-2-1-3-6-19/h1-3,5-10H,4,11-14,16H2/p+1