5-methoxy-N-[[2-[methyl-(phenylmethyl)amino]pyridin-1-ium-3-yl]methyl]furan-2-carboxamide

Systemtic Name: 5-methoxy-N-[[2-[methyl-(phenylmethyl)amino]pyridin-1-ium-3-yl]methyl]furan-2-carboxamide Openeye Name: N-[[2-[benzyl(methyl)amino]pyridin-1-ium-3-yl]methyl]-5-methoxy-furan-2-carboxamide CAS Name: 5-methoxy-N-[[2-[methyl-(phenylmethyl)amino]-3-pyridin-1-iumyl]methyl]-2-furancarboxamide IUPAC Name: N-[[2-[benzyl(methyl)amino]pyridin-1-ium-3-yl]methyl]-5-methoxyfuran-2-carboxamide Traditional Name: N-[[2-[benzyl(methyl)amino]pyridin-1-ium-3-yl]methyl]-5-methoxy-2-furamide Formula: C20H22N3O3+ MolecularWeight: 352.40698

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=CC=C1)C2=C(C=CC=[NH+]2)CNC(=O)C3=CC=C(O3)OC

Isomeric SMILES

CN(CC1=CC=CC=C1)C2=C(C=CC=[NH+]2)CNC(=O)C3=CC=C(O3)OC

InChI

InChI=1S/C20H21N3O3/c1-23(14-15-7-4-3-5-8-15)19-16(9-6-12-21-19)13-22-20(24)17-10-11-18(25-2)26-17/h3-12H,13-14H2,1-2H3,(H,22,24)/p+1