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

Systemtic Name: 2-chloranyl-N-[4-[4-(phenylmethyl)piperazin-4-ium-1-yl]phenyl]pyridine-4-carboxamide Openeye Name: N-[4-(4-benzylpiperazin-4-ium-1-yl)phenyl]-2-chloro-pyridine-4-carboxamide CAS Name: 2-chloro-N-[4-[4-(phenylmethyl)-1-piperazin-4-iumyl]phenyl]-4-pyridinecarboxamide IUPAC Name: N-[4-(4-benzylpiperazin-4-ium-1-yl)phenyl]-2-chloropyridine-4-carboxamide Traditional Name: N-[4-(4-benzylpiperazin-4-ium-1-yl)phenyl]-2-chloro-isonicotinamide Formula: C23H24ClN4O+ MolecularWeight: 407.91586

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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=CC(=NC=C4)Cl

Isomeric SMILES

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

InChI

InChI=1S/C23H23ClN4O/c24-22-16-19(10-11-25-22)23(29)26-20-6-8-21(9-7-20)28-14-12-27(13-15-28)17-18-4-2-1-3-5-18/h1-11,16H,12-15,17H2,(H,26,29)/p+1