dimethyl-[3-[[1-methyl-6-(oxidanylideneazaniumylmethylidene)pyridin-3-yl]carbonylamino]propyl]-(phenylmethyl)azanium

Systemtic Name: dimethyl-[3-[[1-methyl-6-(oxidanylideneazaniumylmethylidene)pyridin-3-yl]carbonylamino]propyl]-(phenylmethyl)azanium Openeye Name: benzyl-dimethyl-[3-[[1-methyl-6-(oxoammoniomethylene)pyridine-3-carbonyl]amino]propyl]ammonium CAS Name: dimethyl-[3-[[[1-methyl-6-(oxoammoniomethylidene)-3-pyridinyl]-oxomethyl]amino]propyl]-(phenylmethyl)ammonium IUPAC Name: benzyl-dimethyl-[3-[[1-methyl-6-(oxoazaniumylmethylidene)pyridine-3-carbonyl]amino]propyl]azanium Traditional Name: benzyl-[3-[[6-(ketoammoniomethylene)-1-methyl-nicotinoyl]amino]propyl]-dimethyl-ammonium Formula: C20H28N4O2+2 MolecularWeight: 356.46192

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=CC1=C[NH+]=O)C(=O)NCCC[N+](C)(C)CC2=CC=CC=C2

Isomeric SMILES

CN1C=C(C=CC1=C[NH+]=O)C(=O)NCCC[N+](C)(C)CC2=CC=CC=C2

InChI

InChI=1S/C20H26N4O2/c1-23-15-18(10-11-19(23)14-22-26)20(25)21-12-7-13-24(2,3)16-17-8-5-4-6-9-17/h4-6,8-11,14-15H,7,12-13,16H2,1-3H3/p+2