1,3-benzodioxol-5-ylmethyl-[(2R)-1-[(3-ethanoylphenyl)amino]-1-oxidanylidene-propan-2-yl]-methyl-azanium

Systemtic Name: 1,3-benzodioxol-5-ylmethyl-[(2R)-1-[(3-ethanoylphenyl)amino]-1-oxidanylidene-propan-2-yl]-methyl-azanium Openeye Name: [(1R)-2-(3-acetylanilino)-1-methyl-2-oxo-ethyl]-(1,3-benzodioxol-5-ylmethyl)-methyl-ammonium CAS Name: [(2R)-1-(3-acetylanilino)-1-oxopropan-2-yl]-(1,3-benzodioxol-5-ylmethyl)-methylammonium IUPAC Name: [(2R)-1-(3-acetylanilino)-1-oxopropan-2-yl]-(1,3-benzodioxol-5-ylmethyl)-methylazanium Traditional Name: [(1R)-2-(3-acetylanilino)-2-keto-1-methyl-ethyl]-methyl-piperonyl-ammonium Formula: C20H23N2O4+ MolecularWeight: 355.40762

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC(=C1)C(=O)C)[NH+](C)CC2=CC3=C(C=C2)OCO3

Isomeric SMILES

C[C@H](C(=O)NC1=CC=CC(=C1)C(=O)C)[NH+](C)CC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C20H22N2O4/c1-13(20(24)21-17-6-4-5-16(10-17)14(2)23)22(3)11-15-7-8-18-19(9-15)26-12-25-18/h4-10,13H,11-12H2,1-3H3,(H,21,24)/p+1/t13-/m1/s1