(3-chlorophenyl)methyl-[[7-methyl-2-(4-oxidanylpiperidin-1-yl)quinolin-1-ium-3-yl]methyl]azanium

Systemtic Name: (3-chlorophenyl)methyl-[[7-methyl-2-(4-oxidanylpiperidin-1-yl)quinolin-1-ium-3-yl]methyl]azanium Openeye Name: (3-chlorophenyl)methyl-[[2-(4-hydroxy-1-piperidyl)-7-methyl-quinolin-1-ium-3-yl]methyl]ammonium CAS Name: (3-chlorophenyl)methyl-[[2-(4-hydroxy-1-piperidinyl)-7-methyl-3-quinolin-1-iumyl]methyl]ammonium IUPAC Name: (3-chlorophenyl)methyl-[[2-(4-hydroxypiperidin-1-yl)-7-methylquinolin-1-ium-3-yl]methyl]azanium Traditional Name: (3-chlorobenzyl)-[[2-(4-hydroxypiperidino)-7-methyl-quinolin-1-ium-3-yl]methyl]ammonium Formula: C23H28ClN3O+2 MolecularWeight: 397.94092

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=[NH+]C(=C(C=C2C=C1)C[NH2+]CC3=CC(=CC=C3)Cl)N4CCC(CC4)O

Isomeric SMILES

CC1=CC2=[NH+]C(=C(C=C2C=C1)C[NH2+]CC3=CC(=CC=C3)Cl)N4CCC(CC4)O

InChI

InChI=1S/C23H26ClN3O/c1-16-5-6-18-13-19(15-25-14-17-3-2-4-20(24)12-17)23(26-22(18)11-16)27-9-7-21(28)8-10-27/h2-6,11-13,21,25,28H,7-10,14-15H2,1H3/p+2