(3-chlorophenyl)methyl-[[2-(4-ethoxycarbonylpiperidin-1-yl)-8-methyl-quinolin-3-yl]methyl]azanium

Systemtic Name: (3-chlorophenyl)methyl-[[2-(4-ethoxycarbonylpiperidin-1-yl)-8-methyl-quinolin-3-yl]methyl]azanium Openeye Name: (3-chlorophenyl)methyl-[[2-(4-ethoxycarbonyl-1-piperidyl)-8-methyl-3-quinolyl]methyl]ammonium CAS Name: (3-chlorophenyl)methyl-[[2-(4-ethoxycarbonyl-1-piperidinyl)-8-methyl-3-quinolinyl]methyl]ammonium IUPAC Name: (3-chlorophenyl)methyl-[[2-(4-ethoxycarbonylpiperidin-1-yl)-8-methylquinolin-3-yl]methyl]azanium Traditional Name: [2-(4-carbethoxypiperidino)-8-methyl-3-quinolyl]methyl-(3-chlorobenzyl)ammonium Formula: C26H31ClN3O2+ MolecularWeight: 452.99624

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C2=C(C=C3C=CC=C(C3=N2)C)C[NH2+]CC4=CC(=CC=C4)Cl

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C2=C(C=C3C=CC=C(C3=N2)C)C[NH2+]CC4=CC(=CC=C4)Cl

InChI

InChI=1S/C26H30ClN3O2/c1-3-32-26(31)20-10-12-30(13-11-20)25-22(15-21-8-4-6-18(2)24(21)29-25)17-28-16-19-7-5-9-23(27)14-19/h4-9,14-15,20,28H,3,10-13,16-17H2,1-2H3/p+1