(1S)-2-(azocan-1-ium-1-yl)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanamine

Systemtic Name: (1S)-2-(azocan-1-ium-1-yl)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanamine Openeye Name: (1S)-2-(azocan-1-ium-1-yl)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanamine CAS Name: (1S)-2-(1-azocan-1-iumyl)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanamine IUPAC Name: (1S)-2-(azocan-1-ium-1-yl)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanamine Traditional Name: [(1S)-2-(azocan-1-ium-1-yl)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]amine Formula: C17H27N2O2+ MolecularWeight: 291.40848

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC[NH+](CCC1)CC(C2=CC3=C(C=C2)OCCO3)N

Isomeric SMILES

C1CCC[NH+](CCC1)C[C@H](C2=CC3=C(C=C2)OCCO3)N

InChI

InChI=1S/C17H26N2O2/c18-15(13-19-8-4-2-1-3-5-9-19)14-6-7-16-17(12-14)21-11-10-20-16/h6-7,12,15H,1-5,8-11,13,18H2/p+1/t15-/m1/s1