(7-methyl-2-oxidanylidene-1-phenethyl-quinolin-3-yl)methyl-(4-oxidanylcyclohexyl)azanium

Systemtic Name: (7-methyl-2-oxidanylidene-1-phenethyl-quinolin-3-yl)methyl-(4-oxidanylcyclohexyl)azanium Openeye Name: (4-hydroxycyclohexyl)-[(7-methyl-2-oxo-1-phenethyl-3-quinolyl)methyl]ammonium CAS Name: (4-hydroxycyclohexyl)-[(7-methyl-2-oxo-1-phenethyl-3-quinolinyl)methyl]ammonium IUPAC Name: (4-hydroxycyclohexyl)-[(7-methyl-2-oxo-1-phenethylquinolin-3-yl)methyl]azanium Traditional Name: (4-hydroxycyclohexyl)-[(2-keto-7-methyl-1-phenethyl-3-quinolyl)methyl]ammonium Formula: C25H31N2O2+ MolecularWeight: 391.52584

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C=C(C(=O)N2CCC3=CC=CC=C3)C[NH2+]C4CCC(CC4)O

Isomeric SMILES

CC1=CC2=C(C=C1)C=C(C(=O)N2CCC3=CC=CC=C3)C[NH2+]C4CCC(CC4)O

InChI

InChI=1S/C25H30N2O2/c1-18-7-8-20-16-21(17-26-22-9-11-23(28)12-10-22)25(29)27(24(20)15-18)14-13-19-5-3-2-4-6-19/h2-8,15-16,22-23,26,28H,9-14,17H2,1H3/p+1