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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=C(C=C1)C(C[NH+]2CCCCCCC2)N

Isomeric SMILES

CCCC1=CC=C(C=C1)[C@@H](C[NH+]2CCCCCCC2)N

InChI

InChI=1S/C18H30N2/c1-2-8-16-9-11-17(12-10-16)18(19)15-20-13-6-4-3-5-7-14-20/h9-12,18H,2-8,13-15,19H2,1H3/p+1/t18-/m1/s1