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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C(=O)N2CC[NH+](CC2)CCNC(=O)C3=CC=NC=C3

Isomeric SMILES

COC1=CC=CC=C1C(=O)N2CC[NH+](CC2)CCNC(=O)C3=CC=NC=C3

InChI

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