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

Systemtic Name: cyclohexyl-methyl-[(2-methyl-4-oxidanylidene-6-propoxycarbonyl-1H-quinolin-3-yl)methyl]azanium Openeye Name: cyclohexyl-methyl-[(2-methyl-4-oxo-6-propoxycarbonyl-1H-quinolin-3-yl)methyl]ammonium CAS Name: cyclohexyl-methyl-[[2-methyl-4-oxo-6-[oxo(propoxy)methyl]-1H-quinolin-3-yl]methyl]ammonium IUPAC Name: cyclohexyl-methyl-[(2-methyl-4-oxo-6-propoxycarbonyl-1H-quinolin-3-yl)methyl]azanium Traditional Name: cyclohexyl-[(4-keto-2-methyl-6-propoxycarbonyl-1H-quinolin-3-yl)methyl]-methyl-ammonium Formula: C22H31N2O3+ MolecularWeight: 371.49314

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)C1=CC2=C(C=C1)NC(=C(C2=O)C[NH+](C)C3CCCCC3)C

Isomeric SMILES

CCCOC(=O)C1=CC2=C(C=C1)NC(=C(C2=O)C[NH+](C)C3CCCCC3)C

InChI

InChI=1S/C22H30N2O3/c1-4-12-27-22(26)16-10-11-20-18(13-16)21(25)19(15(2)23-20)14-24(3)17-8-6-5-7-9-17/h10-11,13,17H,4-9,12,14H2,1-3H3,(H,23,25)/p+1