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

Systemtic Name: [(2R)-1-(1,3-benzodioxol-5-ylamino)-1-oxidanylidene-propan-2-yl]-methyl-[(4-prop-2-enoxyphenyl)methyl]azanium Openeye Name: (4-allyloxyphenyl)methyl-[(1R)-2-(1,3-benzodioxol-5-ylamino)-1-methyl-2-oxo-ethyl]-methyl-ammonium CAS Name: [(2R)-1-(1,3-benzodioxol-5-ylamino)-1-oxopropan-2-yl]-methyl-[(4-prop-2-enoxyphenyl)methyl]ammonium IUPAC Name: [(2R)-1-(1,3-benzodioxol-5-ylamino)-1-oxopropan-2-yl]-methyl-[(4-prop-2-enoxyphenyl)methyl]azanium Traditional Name: (4-allyloxybenzyl)-[(1R)-2-(1,3-benzodioxol-5-ylamino)-2-keto-1-methyl-ethyl]-methyl-ammonium Formula: C21H25N2O4+ MolecularWeight: 369.4342

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC2=C(C=C1)OCO2)[NH+](C)CC3=CC=C(C=C3)OCC=C

Isomeric SMILES

C[C@H](C(=O)NC1=CC2=C(C=C1)OCO2)[NH+](C)CC3=CC=C(C=C3)OCC=C

InChI

InChI=1S/C21H24N2O4/c1-4-11-25-18-8-5-16(6-9-18)13-23(3)15(2)21(24)22-17-7-10-19-20(12-17)27-14-26-19/h4-10,12,15H,1,11,13-14H2,2-3H3,(H,22,24)/p+1/t15-/m1/s1