(2-methyl-4-oxidanylidene-6-propoxycarbonyl-1H-quinolin-3-yl)methyl-dipropyl-azanium

Systemtic Name: (2-methyl-4-oxidanylidene-6-propoxycarbonyl-1H-quinolin-3-yl)methyl-dipropyl-azanium Openeye Name: (2-methyl-4-oxo-6-propoxycarbonyl-1H-quinolin-3-yl)methyl-dipropyl-ammonium CAS Name: [2-methyl-4-oxo-6-[oxo(propoxy)methyl]-1H-quinolin-3-yl]methyl-dipropylammonium IUPAC Name: (2-methyl-4-oxo-6-propoxycarbonyl-1H-quinolin-3-yl)methyl-dipropylazanium Traditional Name: (4-keto-2-methyl-6-propoxycarbonyl-1H-quinolin-3-yl)methyl-dipropyl-ammonium Formula: C21H31N2O3+ MolecularWeight: 359.48244

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Descriptors Computed from Structure

Canonical SMILES:

CCC[NH+](CCC)CC1=C(NC2=C(C1=O)C=C(C=C2)C(=O)OCCC)C

Isomeric SMILES

CCC[NH+](CCC)CC1=C(NC2=C(C1=O)C=C(C=C2)C(=O)OCCC)C

InChI

InChI=1S/C21H30N2O3/c1-5-10-23(11-6-2)14-18-15(4)22-19-9-8-16(13-17(19)20(18)24)21(25)26-12-7-3/h8-9,13H,5-7,10-12,14H2,1-4H3,(H,22,24)/p+1