(phenylmethyl) (3R)-3-(1,3-benzodioxol-5-yl)piperazin-4-ium-1-carboxylate

Systemtic Name: (phenylmethyl) (3R)-3-(1,3-benzodioxol-5-yl)piperazin-4-ium-1-carboxylate Openeye Name: benzyl (3R)-3-(1,3-benzodioxol-5-yl)piperazin-4-ium-1-carboxylate CAS Name: (3R)-3-(1,3-benzodioxol-5-yl)-1-piperazin-4-iumcarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl (3R)-3-(1,3-benzodioxol-5-yl)piperazin-4-ium-1-carboxylate Traditional Name: (3R)-3-(1,3-benzodioxol-5-yl)piperazin-4-ium-1-carboxylic acid benzyl ester Formula: C19H21N2O4+ MolecularWeight: 341.38104

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC([NH2+]1)C2=CC3=C(C=C2)OCO3)C(=O)OCC4=CC=CC=C4

Isomeric SMILES

C1CN(C[C@H]([NH2+]1)C2=CC3=C(C=C2)OCO3)C(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C19H20N2O4/c22-19(23-12-14-4-2-1-3-5-14)21-9-8-20-16(11-21)15-6-7-17-18(10-15)25-13-24-17/h1-7,10,16,20H,8-9,11-13H2/p+1/t16-/m0/s1