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

Systemtic Name: 1-adamantyl-[[7-methyl-2-(4-oxidanylpiperidin-1-yl)quinolin-1-ium-3-yl]methyl]azanium Openeye Name: 1-adamantyl-[[2-(4-hydroxy-1-piperidyl)-7-methyl-quinolin-1-ium-3-yl]methyl]ammonium CAS Name: 1-adamantyl-[[2-(4-hydroxy-1-piperidinyl)-7-methyl-3-quinolin-1-iumyl]methyl]ammonium IUPAC Name: 1-adamantyl-[[2-(4-hydroxypiperidin-1-yl)-7-methylquinolin-1-ium-3-yl]methyl]azanium Traditional Name: 1-adamantyl-[[2-(4-hydroxypiperidino)-7-methyl-quinolin-1-ium-3-yl]methyl]ammonium Formula: C26H37N3O+2 MolecularWeight: 407.59148

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=[NH+]C(=C(C=C2C=C1)C[NH2+]C34CC5CC(C3)CC(C5)C4)N6CCC(CC6)O

Isomeric SMILES

CC1=CC2=[NH+]C(=C(C=C2C=C1)C[NH2+]C34CC5CC(C3)CC(C5)C4)N6CCC(CC6)O

InChI

InChI=1S/C26H35N3O/c1-17-2-3-21-12-22(25(28-24(21)8-17)29-6-4-23(30)5-7-29)16-27-26-13-18-9-19(14-26)11-20(10-18)15-26/h2-3,8,12,18-20,23,27,30H,4-7,9-11,13-16H2,1H3/p+2