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

Systemtic Name: (1S)-2-(azepan-1-ium-1-yl)-1-(4-ethylphenyl)ethanol Openeye Name: (1S)-2-(azepan-1-ium-1-yl)-1-(4-ethylphenyl)ethanol CAS Name: (1S)-2-(1-azepan-1-iumyl)-1-(4-ethylphenyl)ethanol IUPAC Name: (1S)-2-(azepan-1-ium-1-yl)-1-(4-ethylphenyl)ethanol Traditional Name: (1S)-2-(azepan-1-ium-1-yl)-1-(4-ethylphenyl)ethanol Formula: C16H26NO+ MolecularWeight: 248.38374

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(C[NH+]2CCCCCC2)O

Isomeric SMILES

CCC1=CC=C(C=C1)[C@@H](C[NH+]2CCCCCC2)O

InChI

InChI=1S/C16H25NO/c1-2-14-7-9-15(10-8-14)16(18)13-17-11-5-3-4-6-12-17/h7-10,16,18H,2-6,11-13H2,1H3/p+1/t16-/m1/s1