N-[2-[4-(4-methoxyphenyl)carbonylpiperazin-1-ium-1-yl]ethyl]pyridine-2-carboxamide

Systemtic Name: N-[2-[4-(4-methoxyphenyl)carbonylpiperazin-1-ium-1-yl]ethyl]pyridine-2-carboxamide Openeye Name: N-[2-[4-(4-methoxybenzoyl)piperazin-1-ium-1-yl]ethyl]pyridine-2-carboxamide CAS Name: N-[2-[4-[(4-methoxyphenyl)-oxomethyl]-1-piperazin-1-iumyl]ethyl]-2-pyridinecarboxamide IUPAC Name: N-[2-[4-(4-methoxybenzoyl)piperazin-1-ium-1-yl]ethyl]pyridine-2-carboxamide Traditional Name: N-[2-(4-p-anisoylpiperazin-1-ium-1-yl)ethyl]picolinamide Formula: C20H25N4O3+ MolecularWeight: 369.4375

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=O)N2CC[NH+](CC2)CCNC(=O)C3=CC=CC=N3

Isomeric SMILES

COC1=CC=C(C=C1)C(=O)N2CC[NH+](CC2)CCNC(=O)C3=CC=CC=N3

InChI

InChI=1S/C20H24N4O3/c1-27-17-7-5-16(6-8-17)20(26)24-14-12-23(13-15-24)11-10-22-19(25)18-4-2-3-9-21-18/h2-9H,10-15H2,1H3,(H,22,25)/p+1