3-[[4-(phenylcarbonyl)-1,4-diazepan-1-ium-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 3-[[4-(phenylcarbonyl)-1,4-diazepan-1-ium-1-yl]methyl]benzenecarbonitrile Openeye Name: 3-[(4-benzoyl-1,4-diazepan-1-ium-1-yl)methyl]benzonitrile CAS Name: 3-[(4-benzoyl-1,4-diazepan-1-ium-1-yl)methyl]benzonitrile IUPAC Name: 3-[(4-benzoyl-1,4-diazepan-1-ium-1-yl)methyl]benzonitrile Traditional Name: 3-[(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=CC(=C3)C#N

Isomeric SMILES

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

InChI

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