(2S)-1-(azepan-1-ium-1-yl)-3-(4-tert-butylcyclohexyl)oxy-propan-2-ol

Systemtic Name: (2S)-1-(azepan-1-ium-1-yl)-3-(4-tert-butylcyclohexyl)oxy-propan-2-ol Openeye Name: (2S)-1-(azepan-1-ium-1-yl)-3-(4-tert-butylcyclohexoxy)propan-2-ol CAS Name: (2S)-1-(1-azepan-1-iumyl)-3-(4-tert-butylcyclohexyl)oxy-2-propanol IUPAC Name: (2S)-1-(azepan-1-ium-1-yl)-3-(4-tert-butylcyclohexyl)oxypropan-2-ol Traditional Name: (2S)-1-(azepan-1-ium-1-yl)-3-(4-tert-butylcyclohexoxy)propan-2-ol Formula: C19H38NO2+ MolecularWeight: 312.51052

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1CCC(CC1)OCC(C[NH+]2CCCCCC2)O

Isomeric SMILES

CC(C)(C)C1CCC(CC1)OC[C@H](C[NH+]2CCCCCC2)O

InChI

InChI=1S/C19H37NO2/c1-19(2,3)16-8-10-18(11-9-16)22-15-17(21)14-20-12-6-4-5-7-13-20/h16-18,21H,4-15H2,1-3H3/p+1/t16?,17-,18?/m0/s1