(1S)-2-(azocan-1-ium-1-yl)-1-(3,4-dimethoxyphenyl)ethanamine

Systemtic Name: (1S)-2-(azocan-1-ium-1-yl)-1-(3,4-dimethoxyphenyl)ethanamine Openeye Name: (1S)-2-(azocan-1-ium-1-yl)-1-(3,4-dimethoxyphenyl)ethanamine CAS Name: (1S)-2-(1-azocan-1-iumyl)-1-(3,4-dimethoxyphenyl)ethanamine IUPAC Name: (1S)-2-(azocan-1-ium-1-yl)-1-(3,4-dimethoxyphenyl)ethanamine Traditional Name: [(1S)-2-(azocan-1-ium-1-yl)-1-(3,4-dimethoxyphenyl)ethyl]amine Formula: C17H29N2O2+ MolecularWeight: 293.42436

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H28N2O2/c1-20-16-9-8-14(12-17(16)21-2)15(18)13-19-10-6-4-3-5-7-11-19/h8-9,12,15H,3-7,10-11,13,18H2,1-2H3/p+1/t15-/m1/s1