(1S)-2-(azocan-1-ium-1-yl)-1-(1,3-benzodioxol-5-yl)ethanamine

Systemtic Name: (1S)-2-(azocan-1-ium-1-yl)-1-(1,3-benzodioxol-5-yl)ethanamine Openeye Name: (1S)-2-(azocan-1-ium-1-yl)-1-(1,3-benzodioxol-5-yl)ethanamine CAS Name: (1S)-2-(1-azocan-1-iumyl)-1-(1,3-benzodioxol-5-yl)ethanamine IUPAC Name: (1S)-2-(azocan-1-ium-1-yl)-1-(1,3-benzodioxol-5-yl)ethanamine Traditional Name: [(1S)-2-(azocan-1-ium-1-yl)-1-(1,3-benzodioxol-5-yl)ethyl]amine Formula: C16H25N2O2+ MolecularWeight: 277.3819

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC[NH+](CCC1)CC(C2=CC3=C(C=C2)OCO3)N

Isomeric SMILES

C1CCC[NH+](CCC1)C[C@H](C2=CC3=C(C=C2)OCO3)N

InChI

InChI=1S/C16H24N2O2/c17-14(11-18-8-4-2-1-3-5-9-18)13-6-7-15-16(10-13)20-12-19-15/h6-7,10,14H,1-5,8-9,11-12,17H2/p+1/t14-/m1/s1