dimethyl-[3-[[1-methyl-2-(oxidanylideneazaniumylmethylidene)pyridin-4-yl]carbonylamino]propyl]-(phenylmethyl)azanium

Systemtic Name: dimethyl-[3-[[1-methyl-2-(oxidanylideneazaniumylmethylidene)pyridin-4-yl]carbonylamino]propyl]-(phenylmethyl)azanium Openeye Name: benzyl-dimethyl-[3-[[1-methyl-2-(oxoammoniomethylene)pyridine-4-carbonyl]amino]propyl]ammonium CAS Name: dimethyl-[3-[[[1-methyl-2-(oxoammoniomethylidene)-4-pyridinyl]-oxomethyl]amino]propyl]-(phenylmethyl)ammonium IUPAC Name: benzyl-dimethyl-[3-[[1-methyl-2-(oxoazaniumylmethylidene)pyridine-4-carbonyl]amino]propyl]azanium Traditional Name: benzyl-[3-[[2-(ketoammoniomethylene)-1-methyl-isonicotinoyl]amino]propyl]-dimethyl-ammonium Formula: C20H28N4O2+2 MolecularWeight: 356.46192

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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