1,3-benzodioxol-5-ylmethyl-[(2R)-1-[(5-chloranyl-2-methoxy-phenyl)amino]-1-oxidanylidene-propan-2-yl]-methyl-azanium

Systemtic Name: 1,3-benzodioxol-5-ylmethyl-[(2R)-1-[(5-chloranyl-2-methoxy-phenyl)amino]-1-oxidanylidene-propan-2-yl]-methyl-azanium Openeye Name: 1,3-benzodioxol-5-ylmethyl-[(1R)-2-(5-chloro-2-methoxy-anilino)-1-methyl-2-oxo-ethyl]-methyl-ammonium CAS Name: 1,3-benzodioxol-5-ylmethyl-[(2R)-1-(5-chloro-2-methoxyanilino)-1-oxopropan-2-yl]-methylammonium IUPAC Name: 1,3-benzodioxol-5-ylmethyl-[(2R)-1-(5-chloro-2-methoxyanilino)-1-oxopropan-2-yl]-methylazanium Traditional Name: [(1R)-2-(5-chloro-2-methoxy-anilino)-2-keto-1-methyl-ethyl]-methyl-piperonyl-ammonium Formula: C19H22ClN2O4+ MolecularWeight: 377.84198

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=C(C=CC(=C1)Cl)OC)[NH+](C)CC2=CC3=C(C=C2)OCO3

Isomeric SMILES

C[C@H](C(=O)NC1=C(C=CC(=C1)Cl)OC)[NH+](C)CC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C19H21ClN2O4/c1-12(19(23)21-15-9-14(20)5-7-16(15)24-3)22(2)10-13-4-6-17-18(8-13)26-11-25-17/h4-9,12H,10-11H2,1-3H3,(H,21,23)/p+1/t12-/m1/s1