3-[4-(diphenylmethyl)piperazin-4-ium-1-yl]propanenitrile

Systemtic Name: 3-[4-(diphenylmethyl)piperazin-4-ium-1-yl]propanenitrile Openeye Name: 3-(4-benzhydrylpiperazin-4-ium-1-yl)propanenitrile CAS Name: 3-[4-(diphenylmethyl)-1-piperazin-4-iumyl]propanenitrile IUPAC Name: 3-(4-benzhydrylpiperazin-4-ium-1-yl)propanenitrile Traditional Name: 3-(4-benzhydrylpiperazin-4-ium-1-yl)propionitrile Formula: C20H24N3+ MolecularWeight: 306.42466

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23N3/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/h1-6,8-11,20H,7,13-17H2/p+1