(1S)-2-(azepan-1-ium-1-yl)-1-(2,5-dimethylphenyl)ethanamine

Systemtic Name: (1S)-2-(azepan-1-ium-1-yl)-1-(2,5-dimethylphenyl)ethanamine Openeye Name: (1S)-2-(azepan-1-ium-1-yl)-1-(2,5-dimethylphenyl)ethanamine CAS Name: (1S)-2-(1-azepan-1-iumyl)-1-(2,5-dimethylphenyl)ethanamine IUPAC Name: (1S)-2-(azepan-1-ium-1-yl)-1-(2,5-dimethylphenyl)ethanamine Traditional Name: [(1S)-2-(azepan-1-ium-1-yl)-1-(2,5-dimethylphenyl)ethyl]amine Formula: C16H27N2+ MolecularWeight: 247.39898

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H26N2/c1-13-7-8-14(2)15(11-13)16(17)12-18-9-5-3-4-6-10-18/h7-8,11,16H,3-6,9-10,12,17H2,1-2H3/p+1/t16-/m1/s1