(1S)-2-(azocan-1-ium-1-yl)-1-(4-propan-2-ylphenyl)ethanamine

Systemtic Name: (1S)-2-(azocan-1-ium-1-yl)-1-(4-propan-2-ylphenyl)ethanamine Openeye Name: (1S)-2-(azocan-1-ium-1-yl)-1-(4-isopropylphenyl)ethanamine CAS Name: (1S)-2-(1-azocan-1-iumyl)-1-(4-propan-2-ylphenyl)ethanamine IUPAC Name: (1S)-2-(azocan-1-ium-1-yl)-1-(4-propan-2-ylphenyl)ethanamine Traditional Name: [(1S)-2-(azocan-1-ium-1-yl)-1-p-cumenyl-ethyl]amine Formula: C18H31N2+ MolecularWeight: 275.45214

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H30N2/c1-15(2)16-8-10-17(11-9-16)18(19)14-20-12-6-4-3-5-7-13-20/h8-11,15,18H,3-7,12-14,19H2,1-2H3/p+1/t18-/m1/s1