(1S)-2-(azepan-1-ium-1-yl)-1-(2,4,6-trimethylphenyl)ethanamine

Systemtic Name: (1S)-2-(azepan-1-ium-1-yl)-1-(2,4,6-trimethylphenyl)ethanamine Openeye Name: (1S)-2-(azepan-1-ium-1-yl)-1-(2,4,6-trimethylphenyl)ethanamine CAS Name: (1S)-2-(1-azepan-1-iumyl)-1-(2,4,6-trimethylphenyl)ethanamine IUPAC Name: (1S)-2-(azepan-1-ium-1-yl)-1-(2,4,6-trimethylphenyl)ethanamine Traditional Name: [(1S)-2-(azepan-1-ium-1-yl)-1-mesityl-ethyl]amine Formula: C17H29N2+ MolecularWeight: 261.42556

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H28N2/c1-13-10-14(2)17(15(3)11-13)16(18)12-19-8-6-4-5-7-9-19/h10-11,16H,4-9,12,18H2,1-3H3/p+1/t16-/m1/s1