(E)-3-phenyl-2-[4-(phenylmethyl)piperazin-4-ium-1-yl]carbonyl-prop-2-enenitrile

Systemtic Name: (E)-3-phenyl-2-[4-(phenylmethyl)piperazin-4-ium-1-yl]carbonyl-prop-2-enenitrile Openeye Name: (E)-2-(4-benzylpiperazin-4-ium-1-carbonyl)-3-phenyl-prop-2-enenitrile CAS Name: (E)-2-[oxo-[4-(phenylmethyl)-1-piperazin-4-iumyl]methyl]-3-phenyl-2-propenenitrile IUPAC Name: (E)-2-(4-benzylpiperazin-4-ium-1-carbonyl)-3-phenylprop-2-enenitrile Traditional Name: (E)-2-(4-benzylpiperazin-4-ium-1-carbonyl)-3-phenyl-acrylonitrile Formula: C21H22N3O+ MolecularWeight: 332.41888

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC=C2)C(=O)C(=CC3=CC=CC=C3)C#N

Isomeric SMILES

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

InChI

InChI=1S/C21H21N3O/c22-16-20(15-18-7-3-1-4-8-18)21(25)24-13-11-23(12-14-24)17-19-9-5-2-6-10-19/h1-10,15H,11-14,17H2/p+1/b20-15+