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

Systemtic Name: 3-[4-(diphenylmethyl)piperazin-4-ium-1-yl]-3-oxidanylidene-propanenitrile Openeye Name: 3-(4-benzhydrylpiperazin-4-ium-1-yl)-3-oxo-propanenitrile CAS Name: 3-[4-(diphenylmethyl)-1-piperazin-4-iumyl]-3-oxopropanenitrile IUPAC Name: 3-(4-benzhydrylpiperazin-4-ium-1-yl)-3-oxopropanenitrile Traditional Name: 3-(4-benzhydrylpiperazin-4-ium-1-yl)-3-keto-propionitrile Formula: C20H22N3O+ MolecularWeight: 320.40818

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21N3O/c21-12-11-19(24)22-13-15-23(16-14-22)20(17-7-3-1-4-8-17)18-9-5-2-6-10-18/h1-10,20H,11,13-16H2/p+1