2-methyl-N-[[2-[4-(2-methylphenyl)piperazin-1-yl]pyridin-1-ium-3-yl]methyl]furan-3-carboxamide

Systemtic Name: 2-methyl-N-[[2-[4-(2-methylphenyl)piperazin-1-yl]pyridin-1-ium-3-yl]methyl]furan-3-carboxamide Openeye Name: 2-methyl-N-[[2-[4-(o-tolyl)piperazin-1-yl]pyridin-1-ium-3-yl]methyl]furan-3-carboxamide CAS Name: 2-methyl-N-[[2-[4-(2-methylphenyl)-1-piperazinyl]-3-pyridin-1-iumyl]methyl]-3-furancarboxamide IUPAC Name: 2-methyl-N-[[2-[4-(2-methylphenyl)piperazin-1-yl]pyridin-1-ium-3-yl]methyl]furan-3-carboxamide Traditional Name: 2-methyl-N-[[2-[4-(o-tolyl)piperazino]pyridin-1-ium-3-yl]methyl]-3-furamide Formula: C23H27N4O2+ MolecularWeight: 391.48608

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2CCN(CC2)C3=C(C=CC=[NH+]3)CNC(=O)C4=C(OC=C4)C

Isomeric SMILES

CC1=CC=CC=C1N2CCN(CC2)C3=C(C=CC=[NH+]3)CNC(=O)C4=C(OC=C4)C

InChI

InChI=1S/C23H26N4O2/c1-17-6-3-4-8-21(17)26-11-13-27(14-12-26)22-19(7-5-10-24-22)16-25-23(28)20-9-15-29-18(20)2/h3-10,15H,11-14,16H2,1-2H3,(H,25,28)/p+1