(1S)-2-(azocan-1-ium-1-yl)-1-(2-ethoxyphenyl)ethanamine

Systemtic Name: (1S)-2-(azocan-1-ium-1-yl)-1-(2-ethoxyphenyl)ethanamine Openeye Name: (1S)-2-(azocan-1-ium-1-yl)-1-(2-ethoxyphenyl)ethanamine CAS Name: (1S)-2-(1-azocan-1-iumyl)-1-(2-ethoxyphenyl)ethanamine IUPAC Name: (1S)-2-(azocan-1-ium-1-yl)-1-(2-ethoxyphenyl)ethanamine Traditional Name: [(1S)-2-(azocan-1-ium-1-yl)-1-o-phenetyl-ethyl]amine Formula: C17H29N2O+ MolecularWeight: 277.42496

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1C(C[NH+]2CCCCCCC2)N

Isomeric SMILES

CCOC1=CC=CC=C1[C@@H](C[NH+]2CCCCCCC2)N

InChI

InChI=1S/C17H28N2O/c1-2-20-17-11-7-6-10-15(17)16(18)14-19-12-8-4-3-5-9-13-19/h6-7,10-11,16H,2-5,8-9,12-14,18H2,1H3/p+1/t16-/m1/s1