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

Systemtic Name: (2-chlorophenyl)methyl-[[7-methyl-2-(4-oxidanylpiperidin-1-yl)quinolin-1-ium-3-yl]methyl]azanium Openeye Name: (2-chlorophenyl)methyl-[[2-(4-hydroxy-1-piperidyl)-7-methyl-quinolin-1-ium-3-yl]methyl]ammonium CAS Name: (2-chlorophenyl)methyl-[[2-(4-hydroxy-1-piperidinyl)-7-methyl-3-quinolin-1-iumyl]methyl]ammonium IUPAC Name: (2-chlorophenyl)methyl-[[2-(4-hydroxypiperidin-1-yl)-7-methylquinolin-1-ium-3-yl]methyl]azanium Traditional Name: (2-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=C3Cl)N4CCC(CC4)O

Isomeric SMILES

CC1=CC2=[NH+]C(=C(C=C2C=C1)C[NH2+]CC3=CC=CC=C3Cl)N4CCC(CC4)O

InChI

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