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

Systemtic Name: N-[2-[4-(3-methoxyphenyl)carbonylpiperazin-1-ium-1-yl]ethyl]pyridine-4-carboxamide Openeye Name: N-[2-[4-(3-methoxybenzoyl)piperazin-1-ium-1-yl]ethyl]pyridine-4-carboxamide CAS Name: N-[2-[4-[(3-methoxyphenyl)-oxomethyl]-1-piperazin-1-iumyl]ethyl]-4-pyridinecarboxamide IUPAC Name: N-[2-[4-(3-methoxybenzoyl)piperazin-1-ium-1-yl]ethyl]pyridine-4-carboxamide Traditional Name: N-[2-(4-m-anisoylpiperazin-1-ium-1-yl)ethyl]isonicotinamide Formula: C20H25N4O3+ MolecularWeight: 369.4375

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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