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

Systemtic Name: [(2R)-1-(1,3-benzodioxol-5-ylamino)-1-oxidanylidene-propan-2-yl]-[(4-ethylphenyl)methyl]-methyl-azanium Openeye Name: [(1R)-2-(1,3-benzodioxol-5-ylamino)-1-methyl-2-oxo-ethyl]-[(4-ethylphenyl)methyl]-methyl-ammonium CAS Name: [(2R)-1-(1,3-benzodioxol-5-ylamino)-1-oxopropan-2-yl]-[(4-ethylphenyl)methyl]-methylammonium IUPAC Name: [(2R)-1-(1,3-benzodioxol-5-ylamino)-1-oxopropan-2-yl]-[(4-ethylphenyl)methyl]-methylazanium Traditional Name: [(1R)-2-(1,3-benzodioxol-5-ylamino)-2-keto-1-methyl-ethyl]-(4-ethylbenzyl)-methyl-ammonium Formula: C20H25N2O3+ MolecularWeight: 341.4241

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C[NH+](C)C(C)C(=O)NC2=CC3=C(C=C2)OCO3

Isomeric SMILES

CCC1=CC=C(C=C1)C[NH+](C)[C@H](C)C(=O)NC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C20H24N2O3/c1-4-15-5-7-16(8-6-15)12-22(3)14(2)20(23)21-17-9-10-18-19(11-17)25-13-24-18/h5-11,14H,4,12-13H2,1-3H3,(H,21,23)/p+1/t14-/m1/s1