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

Systemtic Name: (1S)-2-(azepan-1-ium-1-yl)-1-(4-ethylphenyl)ethanamine Openeye Name: (1S)-2-(azepan-1-ium-1-yl)-1-(4-ethylphenyl)ethanamine CAS Name: (1S)-2-(1-azepan-1-iumyl)-1-(4-ethylphenyl)ethanamine IUPAC Name: (1S)-2-(azepan-1-ium-1-yl)-1-(4-ethylphenyl)ethanamine Traditional Name: [(1S)-2-(azepan-1-ium-1-yl)-1-(4-ethylphenyl)ethyl]amine Formula: C16H27N2+ MolecularWeight: 247.39898

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(C[NH+]2CCCCCC2)N

Isomeric SMILES

CCC1=CC=C(C=C1)[C@@H](C[NH+]2CCCCCC2)N

InChI

InChI=1S/C16H26N2/c1-2-14-7-9-15(10-8-14)16(17)13-18-11-5-3-4-6-12-18/h7-10,16H,2-6,11-13,17H2,1H3/p+1/t16-/m1/s1