[1-(3,5-dimethylphenyl)piperidin-4-yl]-[(2R)-6-methyl-6-oxidanyl-heptan-2-yl]azanium

Systemtic Name: [1-(3,5-dimethylphenyl)piperidin-4-yl]-[(2R)-6-methyl-6-oxidanyl-heptan-2-yl]azanium Openeye Name: [1-(3,5-dimethylphenyl)-4-piperidyl]-[(1R)-5-hydroxy-1,5-dimethyl-hexyl]ammonium CAS Name: [1-(3,5-dimethylphenyl)-4-piperidinyl]-[(2R)-6-hydroxy-6-methylheptan-2-yl]ammonium IUPAC Name: [1-(3,5-dimethylphenyl)piperidin-4-yl]-[(2R)-6-hydroxy-6-methylheptan-2-yl]azanium Traditional Name: [1-(3,5-dimethylphenyl)-4-piperidyl]-[(1R)-5-hydroxy-1,5-dimethyl-hexyl]ammonium Formula: C21H37N2O+ MolecularWeight: 333.53128

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)N2CCC(CC2)[NH2+]C(C)CCCC(C)(C)O)C

Isomeric SMILES

CC1=CC(=CC(=C1)N2CCC(CC2)[NH2+][C@H](C)CCCC(C)(C)O)C

InChI

InChI=1S/C21H36N2O/c1-16-13-17(2)15-20(14-16)23-11-8-19(9-12-23)22-18(3)7-6-10-21(4,5)24/h13-15,18-19,22,24H,6-12H2,1-5H3/p+1/t18-/m1/s1