(1S)-2-(azocan-1-ium-1-yl)-1-(4-ethylphenyl)ethanamine

Systemtic Name: (1S)-2-(azocan-1-ium-1-yl)-1-(4-ethylphenyl)ethanamine Openeye Name: (1S)-2-(azocan-1-ium-1-yl)-1-(4-ethylphenyl)ethanamine CAS Name: (1S)-2-(1-azocan-1-iumyl)-1-(4-ethylphenyl)ethanamine IUPAC Name: (1S)-2-(azocan-1-ium-1-yl)-1-(4-ethylphenyl)ethanamine Traditional Name: [(1S)-2-(azocan-1-ium-1-yl)-1-(4-ethylphenyl)ethyl]amine Formula: C17H29N2+ MolecularWeight: 261.42556

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(C[NH+]2CCCCCCC2)N

Isomeric SMILES

CCC1=CC=C(C=C1)[C@@H](C[NH+]2CCCCCCC2)N

InChI

InChI=1S/C17H28N2/c1-2-15-8-10-16(11-9-15)17(18)14-19-12-6-4-3-5-7-13-19/h8-11,17H,2-7,12-14,18H2,1H3/p+1/t17-/m1/s1