ethyl-[(2-methyl-4-oxidanylidene-6-propoxycarbonyl-1H-quinolin-3-yl)methyl]-(phenylmethyl)azanium

Systemtic Name: ethyl-[(2-methyl-4-oxidanylidene-6-propoxycarbonyl-1H-quinolin-3-yl)methyl]-(phenylmethyl)azanium Openeye Name: benzyl-ethyl-[(2-methyl-4-oxo-6-propoxycarbonyl-1H-quinolin-3-yl)methyl]ammonium CAS Name: ethyl-[[2-methyl-4-oxo-6-[oxo(propoxy)methyl]-1H-quinolin-3-yl]methyl]-(phenylmethyl)ammonium IUPAC Name: benzyl-ethyl-[(2-methyl-4-oxo-6-propoxycarbonyl-1H-quinolin-3-yl)methyl]azanium Traditional Name: benzyl-ethyl-[(4-keto-2-methyl-6-propoxycarbonyl-1H-quinolin-3-yl)methyl]ammonium Formula: C24H29N2O3+ MolecularWeight: 393.49866

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)C1=CC2=C(C=C1)NC(=C(C2=O)C[NH+](CC)CC3=CC=CC=C3)C

Isomeric SMILES

CCCOC(=O)C1=CC2=C(C=C1)NC(=C(C2=O)C[NH+](CC)CC3=CC=CC=C3)C

InChI

InChI=1S/C24H28N2O3/c1-4-13-29-24(28)19-11-12-22-20(14-19)23(27)21(17(3)25-22)16-26(5-2)15-18-9-7-6-8-10-18/h6-12,14H,4-5,13,15-16H2,1-3H3,(H,25,27)/p+1