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

Systemtic Name: cyclopentyl-[[7-methyl-2-(4-oxidanylpiperidin-1-yl)quinolin-1-ium-3-yl]methyl]azanium Openeye Name: cyclopentyl-[[2-(4-hydroxy-1-piperidyl)-7-methyl-quinolin-1-ium-3-yl]methyl]ammonium CAS Name: cyclopentyl-[[2-(4-hydroxy-1-piperidinyl)-7-methyl-3-quinolin-1-iumyl]methyl]ammonium IUPAC Name: cyclopentyl-[[2-(4-hydroxypiperidin-1-yl)-7-methylquinolin-1-ium-3-yl]methyl]azanium Traditional Name: cyclopentyl-[[2-(4-hydroxypiperidino)-7-methyl-quinolin-1-ium-3-yl]methyl]ammonium Formula: C21H31N3O+2 MolecularWeight: 341.49034

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=[NH+]C(=C(C=C2C=C1)C[NH2+]C3CCCC3)N4CCC(CC4)O

Isomeric SMILES

CC1=CC2=[NH+]C(=C(C=C2C=C1)C[NH2+]C3CCCC3)N4CCC(CC4)O

InChI

InChI=1S/C21H29N3O/c1-15-6-7-16-13-17(14-22-18-4-2-3-5-18)21(23-20(16)12-15)24-10-8-19(25)9-11-24/h6-7,12-13,18-19,22,25H,2-5,8-11,14H2,1H3/p+2