1,3-benzodioxol-5-ylmethyl-[(2R)-1-[(4-ethylphenyl)amino]-1-oxidanylidene-propan-2-yl]azanium

Systemtic Name: 1,3-benzodioxol-5-ylmethyl-[(2R)-1-[(4-ethylphenyl)amino]-1-oxidanylidene-propan-2-yl]azanium Openeye Name: 1,3-benzodioxol-5-ylmethyl-[(1R)-2-(4-ethylanilino)-1-methyl-2-oxo-ethyl]ammonium CAS Name: 1,3-benzodioxol-5-ylmethyl-[(2R)-1-(4-ethylanilino)-1-oxopropan-2-yl]ammonium IUPAC Name: 1,3-benzodioxol-5-ylmethyl-[(2R)-1-(4-ethylanilino)-1-oxopropan-2-yl]azanium Traditional Name: [(1R)-2-(4-ethylanilino)-2-keto-1-methyl-ethyl]-piperonyl-ammonium Formula: C19H23N2O3+ MolecularWeight: 327.39752

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)NC(=O)C(C)[NH2+]CC2=CC3=C(C=C2)OCO3

Isomeric SMILES

CCC1=CC=C(C=C1)NC(=O)[C@@H](C)[NH2+]CC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C19H22N2O3/c1-3-14-4-7-16(8-5-14)21-19(22)13(2)20-11-15-6-9-17-18(10-15)24-12-23-17/h4-10,13,20H,3,11-12H2,1-2H3,(H,21,22)/p+1/t13-/m1/s1