N-[2-[4-(3,4-dimethylphenyl)carbonylpiperazin-1-ium-1-yl]ethyl]pyridine-2-carboxamide

Systemtic Name: N-[2-[4-(3,4-dimethylphenyl)carbonylpiperazin-1-ium-1-yl]ethyl]pyridine-2-carboxamide Openeye Name: N-[2-[4-(3,4-dimethylbenzoyl)piperazin-1-ium-1-yl]ethyl]pyridine-2-carboxamide CAS Name: N-[2-[4-[(3,4-dimethylphenyl)-oxomethyl]-1-piperazin-1-iumyl]ethyl]-2-pyridinecarboxamide IUPAC Name: N-[2-[4-(3,4-dimethylbenzoyl)piperazin-1-ium-1-yl]ethyl]pyridine-2-carboxamide Traditional Name: N-[2-[4-(3,4-dimethylbenzoyl)piperazin-1-ium-1-yl]ethyl]picolinamide Formula: C21H27N4O2+ MolecularWeight: 367.46468

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)N2CC[NH+](CC2)CCNC(=O)C3=CC=CC=N3)C

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)N2CC[NH+](CC2)CCNC(=O)C3=CC=CC=N3)C

InChI

InChI=1S/C21H26N4O2/c1-16-6-7-18(15-17(16)2)21(27)25-13-11-24(12-14-25)10-9-23-20(26)19-5-3-4-8-22-19/h3-8,15H,9-14H2,1-2H3,(H,23,26)/p+1