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

Systemtic Name: (1S)-2-(azocan-1-ium-1-yl)-1-(4-tert-butylphenyl)ethanamine Openeye Name: (1S)-2-(azocan-1-ium-1-yl)-1-(4-tert-butylphenyl)ethanamine CAS Name: (1S)-2-(1-azocan-1-iumyl)-1-(4-tert-butylphenyl)ethanamine IUPAC Name: (1S)-2-(azocan-1-ium-1-yl)-1-(4-tert-butylphenyl)ethanamine Traditional Name: [(1S)-2-(azocan-1-ium-1-yl)-1-(4-tert-butylphenyl)ethyl]amine Formula: C19H33N2+ MolecularWeight: 289.47872

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H32N2/c1-19(2,3)17-11-9-16(10-12-17)18(20)15-21-13-7-5-4-6-8-14-21/h9-12,18H,4-8,13-15,20H2,1-3H3/p+1/t18-/m1/s1