3-[4-(phenylmethyl)piperazin-4-ium-1-yl]carbonylbenzenecarbonitrile

Systemtic Name: 3-[4-(phenylmethyl)piperazin-4-ium-1-yl]carbonylbenzenecarbonitrile Openeye Name: 3-(4-benzylpiperazin-4-ium-1-carbonyl)benzonitrile CAS Name: 3-[oxo-[4-(phenylmethyl)-1-piperazin-4-iumyl]methyl]benzonitrile IUPAC Name: 3-(4-benzylpiperazin-4-ium-1-carbonyl)benzonitrile Traditional Name: 3-(4-benzylpiperazin-4-ium-1-carbonyl)benzonitrile Formula: C19H20N3O+ MolecularWeight: 306.3816

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC=C2)C(=O)C3=CC=CC(=C3)C#N

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC=C2)C(=O)C3=CC=CC(=C3)C#N

InChI

InChI=1S/C19H19N3O/c20-14-17-7-4-8-18(13-17)19(23)22-11-9-21(10-12-22)15-16-5-2-1-3-6-16/h1-8,13H,9-12,15H2/p+1