(1S)-2-(azepan-1-ium-1-yl)-1-(4-tert-butylphenyl)ethanamine

Systemtic Name: (1S)-2-(azepan-1-ium-1-yl)-1-(4-tert-butylphenyl)ethanamine Openeye Name: (1S)-2-(azepan-1-ium-1-yl)-1-(4-tert-butylphenyl)ethanamine CAS Name: (1S)-2-(1-azepan-1-iumyl)-1-(4-tert-butylphenyl)ethanamine IUPAC Name: (1S)-2-(azepan-1-ium-1-yl)-1-(4-tert-butylphenyl)ethanamine Traditional Name: [(1S)-2-(azepan-1-ium-1-yl)-1-(4-tert-butylphenyl)ethyl]amine Formula: C18H31N2+ MolecularWeight: 275.45214

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H30N2/c1-18(2,3)16-10-8-15(9-11-16)17(19)14-20-12-6-4-5-7-13-20/h8-11,17H,4-7,12-14,19H2,1-3H3/p+1/t17-/m1/s1