[2-(1,3-benzodioxol-5-ylamino)-2-oxidanylidene-ethyl]-methyl-[(1R)-1-phenylethyl]azanium

Systemtic Name: [2-(1,3-benzodioxol-5-ylamino)-2-oxidanylidene-ethyl]-methyl-[(1R)-1-phenylethyl]azanium Openeye Name: [2-(1,3-benzodioxol-5-ylamino)-2-oxo-ethyl]-methyl-[(1R)-1-phenylethyl]ammonium CAS Name: [2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]-methyl-[(1R)-1-phenylethyl]ammonium IUPAC Name: [2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]-methyl-[(1R)-1-phenylethyl]azanium Traditional Name: [2-(1,3-benzodioxol-5-ylamino)-2-keto-ethyl]-methyl-[(1R)-1-phenylethyl]ammonium Formula: C18H21N2O3+ MolecularWeight: 313.37094

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H20N2O3/c1-13(14-6-4-3-5-7-14)20(2)11-18(21)19-15-8-9-16-17(10-15)23-12-22-16/h3-10,13H,11-12H2,1-2H3,(H,19,21)/p+1/t13-/m1/s1