(1S)-2-(azocan-1-ium-1-yl)-1-(3-methoxyphenyl)ethanamine

Systemtic Name: (1S)-2-(azocan-1-ium-1-yl)-1-(3-methoxyphenyl)ethanamine Openeye Name: (1S)-2-(azocan-1-ium-1-yl)-1-(3-methoxyphenyl)ethanamine CAS Name: (1S)-2-(1-azocan-1-iumyl)-1-(3-methoxyphenyl)ethanamine IUPAC Name: (1S)-2-(azocan-1-ium-1-yl)-1-(3-methoxyphenyl)ethanamine Traditional Name: [(1S)-2-(azocan-1-ium-1-yl)-1-(3-methoxyphenyl)ethyl]amine Formula: C16H27N2O+ MolecularWeight: 263.39838

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C(C[NH+]2CCCCCCC2)N

Isomeric SMILES

COC1=CC=CC(=C1)[C@@H](C[NH+]2CCCCCCC2)N

InChI

InChI=1S/C16H26N2O/c1-19-15-9-7-8-14(12-15)16(17)13-18-10-5-3-2-4-6-11-18/h7-9,12,16H,2-6,10-11,13,17H2,1H3/p+1/t16-/m1/s1