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

Systemtic Name: [7-methyl-2-(4-oxidanylpiperidin-1-yl)quinolin-1-ium-3-yl]methyl-(2-methylpropyl)azanium Openeye Name: [2-(4-hydroxy-1-piperidyl)-7-methyl-quinolin-1-ium-3-yl]methyl-isobutyl-ammonium CAS Name: [2-(4-hydroxy-1-piperidinyl)-7-methyl-3-quinolin-1-iumyl]methyl-(2-methylpropyl)ammonium IUPAC Name: [2-(4-hydroxypiperidin-1-yl)-7-methylquinolin-1-ium-3-yl]methyl-(2-methylpropyl)azanium Traditional Name: [2-(4-hydroxypiperidino)-7-methyl-quinolin-1-ium-3-yl]methyl-isobutyl-ammonium Formula: C20H31N3O+2 MolecularWeight: 329.47964

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=[NH+]C(=C(C=C2C=C1)C[NH2+]CC(C)C)N3CCC(CC3)O

Isomeric SMILES

CC1=CC2=[NH+]C(=C(C=C2C=C1)C[NH2+]CC(C)C)N3CCC(CC3)O

InChI

InChI=1S/C20H29N3O/c1-14(2)12-21-13-17-11-16-5-4-15(3)10-19(16)22-20(17)23-8-6-18(24)7-9-23/h4-5,10-11,14,18,21,24H,6-9,12-13H2,1-3H3/p+2