(1S)-2-(azepan-1-ium-1-yl)-1-[4-(2-methylpropyl)phenyl]ethanamine

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H30N2/c1-15(2)13-16-7-9-17(10-8-16)18(19)14-20-11-5-3-4-6-12-20/h7-10,15,18H,3-6,11-14,19H2,1-2H3/p+1/t18-/m1/s1