2-[4-(phenylmethyl)-1,4-diazepan-4-ium-1-yl]benzenecarbonitrile

Systemtic Name: 2-[4-(phenylmethyl)-1,4-diazepan-4-ium-1-yl]benzenecarbonitrile Openeye Name: 2-(4-benzyl-1,4-diazepan-4-ium-1-yl)benzonitrile CAS Name: 2-[4-(phenylmethyl)-1,4-diazepan-4-ium-1-yl]benzonitrile IUPAC Name: 2-(4-benzyl-1,4-diazepan-4-ium-1-yl)benzonitrile Traditional Name: 2-(4-benzyl-1,4-diazepan-4-ium-1-yl)benzonitrile Formula: C19H22N3+ MolecularWeight: 292.39808

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCN(C1)C2=CC=CC=C2C#N)CC3=CC=CC=C3

Isomeric SMILES

C1C[NH+](CCN(C1)C2=CC=CC=C2C#N)CC3=CC=CC=C3

InChI

InChI=1S/C19H21N3/c20-15-18-9-4-5-10-19(18)22-12-6-11-21(13-14-22)16-17-7-2-1-3-8-17/h1-5,7-10H,6,11-14,16H2/p+1