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

Systemtic Name: (1S)-1-(1,3-benzodioxol-5-yl)-2-piperidin-1-ium-1-yl-ethanamine Openeye Name: (1S)-1-(1,3-benzodioxol-5-yl)-2-piperidin-1-ium-1-yl-ethanamine CAS Name: (1S)-1-(1,3-benzodioxol-5-yl)-2-(1-piperidin-1-iumyl)ethanamine IUPAC Name: (1S)-1-(1,3-benzodioxol-5-yl)-2-piperidin-1-ium-1-ylethanamine Traditional Name: [(1S)-1-(1,3-benzodioxol-5-yl)-2-piperidin-1-ium-1-yl-ethyl]amine Formula: C14H21N2O2+ MolecularWeight: 249.32874

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CC(C2=CC3=C(C=C2)OCO3)N

Isomeric SMILES

C1CC[NH+](CC1)C[C@H](C2=CC3=C(C=C2)OCO3)N

InChI

InChI=1S/C14H20N2O2/c15-12(9-16-6-2-1-3-7-16)11-4-5-13-14(8-11)18-10-17-13/h4-5,8,12H,1-3,6-7,9-10,15H2/p+1/t12-/m1/s1