N-[4-[4-(phenylmethyl)piperazin-4-ium-1-yl]phenyl]pyridine-3-carboxamide

Systemtic Name: N-[4-[4-(phenylmethyl)piperazin-4-ium-1-yl]phenyl]pyridine-3-carboxamide Openeye Name: N-[4-(4-benzylpiperazin-4-ium-1-yl)phenyl]pyridine-3-carboxamide CAS Name: N-[4-[4-(phenylmethyl)-1-piperazin-4-iumyl]phenyl]-3-pyridinecarboxamide IUPAC Name: N-[4-(4-benzylpiperazin-4-ium-1-yl)phenyl]pyridine-3-carboxamide Traditional Name: N-[4-(4-benzylpiperazin-4-ium-1-yl)phenyl]nicotinamide Formula: C23H25N4O+ MolecularWeight: 373.4708

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC=C2)C3=CC=C(C=C3)NC(=O)C4=CN=CC=C4

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC=C2)C3=CC=C(C=C3)NC(=O)C4=CN=CC=C4

InChI

InChI=1S/C23H24N4O/c28-23(20-7-4-12-24-17-20)25-21-8-10-22(11-9-21)27-15-13-26(14-16-27)18-19-5-2-1-3-6-19/h1-12,17H,13-16,18H2,(H,25,28)/p+1