5-phenyl-2-[4-(phenylmethyl)piperazin-4-ium-1-yl]pyridine-3-carbonitrile

Systemtic Name: 5-phenyl-2-[4-(phenylmethyl)piperazin-4-ium-1-yl]pyridine-3-carbonitrile Openeye Name: 2-(4-benzylpiperazin-4-ium-1-yl)-5-phenyl-pyridine-3-carbonitrile CAS Name: 5-phenyl-2-[4-(phenylmethyl)-1-piperazin-4-iumyl]-3-pyridinecarbonitrile IUPAC Name: 2-(4-benzylpiperazin-4-ium-1-yl)-5-phenylpyridine-3-carbonitrile Traditional Name: 2-(4-benzylpiperazin-4-ium-1-yl)-5-phenyl-nicotinonitrile Formula: C23H23N4+ MolecularWeight: 355.45552

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC=C2)C3=NC=C(C=C3C#N)C4=CC=CC=C4

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC=C2)C3=NC=C(C=C3C#N)C4=CC=CC=C4

InChI

InChI=1S/C23H22N4/c24-16-21-15-22(20-9-5-2-6-10-20)17-25-23(21)27-13-11-26(12-14-27)18-19-7-3-1-4-8-19/h1-10,15,17H,11-14,18H2/p+1