3-[[1-[(2-methoxyphenyl)methyl]-5-(3-methylbutylcarbamoyl)-4-oxidanylidene-pyridin-3-yl]carbonyl-methyl-amino]propyl-dimethyl-azanium

Systemtic Name: 3-[[1-[(2-methoxyphenyl)methyl]-5-(3-methylbutylcarbamoyl)-4-oxidanylidene-pyridin-3-yl]carbonyl-methyl-amino]propyl-dimethyl-azanium Openeye Name: 3-[[5-(isopentylcarbamoyl)-1-[(2-methoxyphenyl)methyl]-4-oxo-pyridine-3-carbonyl]-methyl-amino]propyl-dimethyl-ammonium CAS Name: 3-[[[1-[(2-methoxyphenyl)methyl]-5-[(3-methylbutylamino)-oxomethyl]-4-oxo-3-pyridinyl]-oxomethyl]-methylamino]propyl-dimethylammonium IUPAC Name: 3-[[1-[(2-methoxyphenyl)methyl]-5-(3-methylbutylcarbamoyl)-4-oxopyridine-3-carbonyl]-methylamino]propyl-dimethylazanium Traditional Name: 3-[[5-(isoamylcarbamoyl)-4-keto-1-o-anisyl-nicotinoyl]-methyl-amino]propyl-dimethyl-ammonium Formula: C26H39N4O4+ MolecularWeight: 471.61226

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCNC(=O)C1=CN(C=C(C1=O)C(=O)N(C)CCC[NH+](C)C)CC2=CC=CC=C2OC

Isomeric SMILES

CC(C)CCNC(=O)C1=CN(C=C(C1=O)C(=O)N(C)CCC[NH+](C)C)CC2=CC=CC=C2OC

InChI

InChI=1S/C26H38N4O4/c1-19(2)12-13-27-25(32)21-17-30(16-20-10-7-8-11-23(20)34-6)18-22(24(21)31)26(33)29(5)15-9-14-28(3)4/h7-8,10-11,17-19H,9,12-16H2,1-6H3,(H,27,32)/p+1