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

Systemtic Name: (1S)-2-(azocan-1-ium-1-yl)-1-(2,4,6-trimethylphenyl)ethanamine Openeye Name: (1S)-2-(azocan-1-ium-1-yl)-1-(2,4,6-trimethylphenyl)ethanamine CAS Name: (1S)-2-(1-azocan-1-iumyl)-1-(2,4,6-trimethylphenyl)ethanamine IUPAC Name: (1S)-2-(azocan-1-ium-1-yl)-1-(2,4,6-trimethylphenyl)ethanamine Traditional Name: [(1S)-2-(azocan-1-ium-1-yl)-1-mesityl-ethyl]amine Formula: C18H31N2+ MolecularWeight: 275.45214

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)C(C[NH+]2CCCCCCC2)N)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)[C@@H](C[NH+]2CCCCCCC2)N)C

InChI

InChI=1S/C18H30N2/c1-14-11-15(2)18(16(3)12-14)17(19)13-20-9-7-5-4-6-8-10-20/h11-12,17H,4-10,13,19H2,1-3H3/p+1/t17-/m1/s1