(E)-3-[4-(diphenylmethyl)piperazin-4-ium-1-yl]prop-2-enenitrile

Systemtic Name: (E)-3-[4-(diphenylmethyl)piperazin-4-ium-1-yl]prop-2-enenitrile Openeye Name: (E)-3-(4-benzhydrylpiperazin-4-ium-1-yl)prop-2-enenitrile CAS Name: (E)-3-[4-(diphenylmethyl)-1-piperazin-4-iumyl]-2-propenenitrile IUPAC Name: (E)-3-(4-benzhydrylpiperazin-4-ium-1-yl)prop-2-enenitrile Traditional Name: (E)-3-(4-benzhydrylpiperazin-4-ium-1-yl)acrylonitrile Formula: C20H22N3+ MolecularWeight: 304.40878

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21N3/c21-12-7-13-22-14-16-23(17-15-22)20(18-8-3-1-4-9-18)19-10-5-2-6-11-19/h1-11,13,20H,14-17H2/p+1/b13-7+