(2S)-1-(azepan-1-ium-1-yl)-2-(4-methoxy-3-methyl-phenyl)propan-2-ol

Systemtic Name: (2S)-1-(azepan-1-ium-1-yl)-2-(4-methoxy-3-methyl-phenyl)propan-2-ol Openeye Name: (2S)-1-(azepan-1-ium-1-yl)-2-(4-methoxy-3-methyl-phenyl)propan-2-ol CAS Name: (2S)-1-(1-azepan-1-iumyl)-2-(4-methoxy-3-methylphenyl)-2-propanol IUPAC Name: (2S)-1-(azepan-1-ium-1-yl)-2-(4-methoxy-3-methylphenyl)propan-2-ol Traditional Name: (2S)-1-(azepan-1-ium-1-yl)-2-(4-methoxy-3-methyl-phenyl)propan-2-ol Formula: C17H28NO2+ MolecularWeight: 278.40972

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(C)(C[NH+]2CCCCCC2)O)OC

Isomeric SMILES

CC1=C(C=CC(=C1)[C@@](C)(C[NH+]2CCCCCC2)O)OC

InChI

InChI=1S/C17H27NO2/c1-14-12-15(8-9-16(14)20-3)17(2,19)13-18-10-6-4-5-7-11-18/h8-9,12,19H,4-7,10-11,13H2,1-3H3/p+1/t17-/m1/s1