(1S)-2-(azepan-1-ium-1-yl)-1-(3,4,5-trimethoxyphenyl)ethanol

Systemtic Name: (1S)-2-(azepan-1-ium-1-yl)-1-(3,4,5-trimethoxyphenyl)ethanol Openeye Name: (1S)-2-(azepan-1-ium-1-yl)-1-(3,4,5-trimethoxyphenyl)ethanol CAS Name: (1S)-2-(1-azepan-1-iumyl)-1-(3,4,5-trimethoxyphenyl)ethanol IUPAC Name: (1S)-2-(azepan-1-ium-1-yl)-1-(3,4,5-trimethoxyphenyl)ethanol Traditional Name: (1S)-2-(azepan-1-ium-1-yl)-1-(3,4,5-trimethoxyphenyl)ethanol Formula: C17H28NO4+ MolecularWeight: 310.40852

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C(C[NH+]2CCCCCC2)O

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)[C@@H](C[NH+]2CCCCCC2)O

InChI

InChI=1S/C17H27NO4/c1-20-15-10-13(11-16(21-2)17(15)22-3)14(19)12-18-8-6-4-5-7-9-18/h10-11,14,19H,4-9,12H2,1-3H3/p+1/t14-/m1/s1