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

Systemtic Name: (1S)-2-(azocan-1-ium-1-yl)-1-(4-propoxyphenyl)ethanamine Openeye Name: (1S)-2-(azocan-1-ium-1-yl)-1-(4-propoxyphenyl)ethanamine CAS Name: (1S)-2-(1-azocan-1-iumyl)-1-(4-propoxyphenyl)ethanamine IUPAC Name: (1S)-2-(azocan-1-ium-1-yl)-1-(4-propoxyphenyl)ethanamine Traditional Name: [(1S)-2-(azocan-1-ium-1-yl)-1-(4-propoxyphenyl)ethyl]amine Formula: C18H31N2O+ MolecularWeight: 291.45154

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=C(C=C1)C(C[NH+]2CCCCCCC2)N

Isomeric SMILES

CCCOC1=CC=C(C=C1)[C@@H](C[NH+]2CCCCCCC2)N

InChI

InChI=1S/C18H30N2O/c1-2-14-21-17-10-8-16(9-11-17)18(19)15-20-12-6-4-3-5-7-13-20/h8-11,18H,2-7,12-15,19H2,1H3/p+1/t18-/m1/s1