(1S)-2-(azepan-1-ium-1-yl)-1-(2-methoxy-5-methyl-phenyl)ethanamine

Systemtic Name: (1S)-2-(azepan-1-ium-1-yl)-1-(2-methoxy-5-methyl-phenyl)ethanamine Openeye Name: (1S)-2-(azepan-1-ium-1-yl)-1-(2-methoxy-5-methyl-phenyl)ethanamine CAS Name: (1S)-2-(1-azepan-1-iumyl)-1-(2-methoxy-5-methylphenyl)ethanamine IUPAC Name: (1S)-2-(azepan-1-ium-1-yl)-1-(2-methoxy-5-methylphenyl)ethanamine Traditional Name: [(1S)-2-(azepan-1-ium-1-yl)-1-(2-methoxy-5-methyl-phenyl)ethyl]amine Formula: C16H27N2O+ MolecularWeight: 263.39838

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H26N2O/c1-13-7-8-16(19-2)14(11-13)15(17)12-18-9-5-3-4-6-10-18/h7-8,11,15H,3-6,9-10,12,17H2,1-2H3/p+1/t15-/m1/s1