(1S)-2-(azepan-1-ium-1-yl)-1-(4-dimethylaminophenyl)ethanol

Systemtic Name: (1S)-2-(azepan-1-ium-1-yl)-1-(4-dimethylaminophenyl)ethanol Openeye Name: (1S)-2-(azepan-1-ium-1-yl)-1-(4-dimethylaminophenyl)ethanol CAS Name: (1S)-2-(1-azepan-1-iumyl)-1-(4-dimethylaminophenyl)ethanol IUPAC Name: (1S)-2-(azepan-1-ium-1-yl)-1-(4-dimethylaminophenyl)ethanol Traditional Name: (1S)-2-(azepan-1-ium-1-yl)-1-(4-dimethylaminophenyl)ethanol Formula: C16H27N2O+ MolecularWeight: 263.39838

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=C(C=C1)C(C[NH+]2CCCCCC2)O

Isomeric SMILES

CN(C)C1=CC=C(C=C1)[C@@H](C[NH+]2CCCCCC2)O

InChI

InChI=1S/C16H26N2O/c1-17(2)15-9-7-14(8-10-15)16(19)13-18-11-5-3-4-6-12-18/h7-10,16,19H,3-6,11-13H2,1-2H3/p+1/t16-/m1/s1