N-[3-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]propyl]-6-oxidanylidene-1H-pyridine-3-carboxamide

Systemtic Name: N-[3-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]propyl]-6-oxidanylidene-1H-pyridine-3-carboxamide Openeye Name: N-[3-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]propyl]-6-oxo-1H-pyridine-3-carboxamide CAS Name: N-[3-[4-(4-methoxyphenyl)-1-piperazin-1-iumyl]propyl]-6-oxo-1H-pyridine-3-carboxamide IUPAC Name: N-[3-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]propyl]-6-oxo-1H-pyridine-3-carboxamide Traditional Name: 6-keto-N-[3-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]propyl]-1H-pyridine-3-carboxamide Formula: C20H27N4O3+ MolecularWeight: 371.45338

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2CC[NH+](CC2)CCCNC(=O)C3=CNC(=O)C=C3

Isomeric SMILES

COC1=CC=C(C=C1)N2CC[NH+](CC2)CCCNC(=O)C3=CNC(=O)C=C3

InChI

InChI=1S/C20H26N4O3/c1-27-18-6-4-17(5-7-18)24-13-11-23(12-14-24)10-2-9-21-20(26)16-3-8-19(25)22-15-16/h3-8,15H,2,9-14H2,1H3,(H,21,26)(H,22,25)/p+1