(3-methoxycarbonyl-4-methyl-quinolin-2-yl)methyl-[2-[(2-methylphenyl)amino]-2-oxidanylidene-ethyl]-propyl-azanium

Systemtic Name: (3-methoxycarbonyl-4-methyl-quinolin-2-yl)methyl-[2-[(2-methylphenyl)amino]-2-oxidanylidene-ethyl]-propyl-azanium Openeye Name: (3-methoxycarbonyl-4-methyl-2-quinolyl)methyl-[2-(2-methylanilino)-2-oxo-ethyl]-propyl-ammonium CAS Name: (3-methoxycarbonyl-4-methyl-2-quinolinyl)methyl-[2-(2-methylanilino)-2-oxoethyl]-propylammonium IUPAC Name: (3-methoxycarbonyl-4-methylquinolin-2-yl)methyl-[2-(2-methylanilino)-2-oxoethyl]-propylazanium Traditional Name: (3-carbomethoxy-4-methyl-2-quinolyl)methyl-[2-keto-2-(o-toluidino)ethyl]-propyl-ammonium Formula: C25H30N3O3+ MolecularWeight: 420.524

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Descriptors Computed from Structure

Canonical SMILES:

CCC[NH+](CC1=NC2=CC=CC=C2C(=C1C(=O)OC)C)CC(=O)NC3=CC=CC=C3C

Isomeric SMILES

CCC[NH+](CC1=NC2=CC=CC=C2C(=C1C(=O)OC)C)CC(=O)NC3=CC=CC=C3C

InChI

InChI=1S/C25H29N3O3/c1-5-14-28(16-23(29)27-20-12-8-6-10-17(20)2)15-22-24(25(30)31-4)18(3)19-11-7-9-13-21(19)26-22/h6-13H,5,14-16H2,1-4H3,(H,27,29)/p+1