2-[4-[(4-chlorophenyl)methyl]piperazin-4-ium-1-yl]pyridine-3-carbonitrile

Systemtic Name: 2-[4-[(4-chlorophenyl)methyl]piperazin-4-ium-1-yl]pyridine-3-carbonitrile Openeye Name: 2-[4-[(4-chlorophenyl)methyl]piperazin-4-ium-1-yl]pyridine-3-carbonitrile CAS Name: 2-[4-[(4-chlorophenyl)methyl]-1-piperazin-4-iumyl]-3-pyridinecarbonitrile IUPAC Name: 2-[4-[(4-chlorophenyl)methyl]piperazin-4-ium-1-yl]pyridine-3-carbonitrile Traditional Name: 2-[4-(4-chlorobenzyl)piperazin-4-ium-1-yl]nicotinonitrile Formula: C17H18ClN4+ MolecularWeight: 313.80462

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=C(C=C2)Cl)C3=C(C=CC=N3)C#N

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=C(C=C2)Cl)C3=C(C=CC=N3)C#N

InChI

InChI=1S/C17H17ClN4/c18-16-5-3-14(4-6-16)13-21-8-10-22(11-9-21)17-15(12-19)2-1-7-20-17/h1-7H,8-11,13H2/p+1