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

Systemtic Name: [(2R)-1-(1,3-benzodioxol-5-ylamino)-1-oxidanylidene-propan-2-yl]-[(4-ethoxy-3-methoxy-phenyl)methyl]-methyl-azanium Openeye Name: [(1R)-2-(1,3-benzodioxol-5-ylamino)-1-methyl-2-oxo-ethyl]-[(4-ethoxy-3-methoxy-phenyl)methyl]-methyl-ammonium CAS Name: [(2R)-1-(1,3-benzodioxol-5-ylamino)-1-oxopropan-2-yl]-[(4-ethoxy-3-methoxyphenyl)methyl]-methylammonium IUPAC Name: [(2R)-1-(1,3-benzodioxol-5-ylamino)-1-oxopropan-2-yl]-[(4-ethoxy-3-methoxyphenyl)methyl]-methylazanium Traditional Name: [(1R)-2-(1,3-benzodioxol-5-ylamino)-2-keto-1-methyl-ethyl]-(4-ethoxy-3-methoxy-benzyl)-methyl-ammonium Formula: C21H27N2O5+ MolecularWeight: 387.44948

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C[NH+](C)C(C)C(=O)NC2=CC3=C(C=C2)OCO3)OC

Isomeric SMILES

CCOC1=C(C=C(C=C1)C[NH+](C)[C@H](C)C(=O)NC2=CC3=C(C=C2)OCO3)OC

InChI

InChI=1S/C21H26N2O5/c1-5-26-17-8-6-15(10-19(17)25-4)12-23(3)14(2)21(24)22-16-7-9-18-20(11-16)28-13-27-18/h6-11,14H,5,12-13H2,1-4H3,(H,22,24)/p+1/t14-/m1/s1