2-[(2R)-4-(1,3-benzodioxol-5-yl)butan-2-yl]-1H-pyrazol-2-ium-3-amine

Systemtic Name: 2-[(2R)-4-(1,3-benzodioxol-5-yl)butan-2-yl]-1H-pyrazol-2-ium-3-amine Openeye Name: 2-[(1R)-3-(1,3-benzodioxol-5-yl)-1-methyl-propyl]-1H-pyrazol-2-ium-3-amine CAS Name: 2-[(2R)-4-(1,3-benzodioxol-5-yl)butan-2-yl]-1H-pyrazol-2-ium-3-amine IUPAC Name: 2-[(2R)-4-(1,3-benzodioxol-5-yl)butan-2-yl]-1H-pyrazol-2-ium-3-amine Traditional Name: [2-[(1R)-3-(1,3-benzodioxol-5-yl)-1-methyl-propyl]-1H-pyrazol-2-ium-3-yl]amine Formula: C14H18N3O2+ MolecularWeight: 260.31162

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCC1=CC2=C(C=C1)OCO2)[N+]3=C(C=CN3)N

Isomeric SMILES

C[C@H](CCC1=CC2=C(C=C1)OCO2)[N+]3=C(C=CN3)N

InChI

InChI=1S/C14H17N3O2/c1-10(17-14(15)6-7-16-17)2-3-11-4-5-12-13(8-11)19-9-18-12/h4-8,10H,2-3,9H2,1H3,(H2,15,16)/p+1/t10-/m1/s1