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

Systemtic Name: 1,3-benzodioxol-5-ylmethyl-[(2R)-1-[(5-chloranyl-2-methoxy-phenyl)amino]-1-oxidanylidene-propan-2-yl]azanium Openeye Name: 1,3-benzodioxol-5-ylmethyl-[(1R)-2-(5-chloro-2-methoxy-anilino)-1-methyl-2-oxo-ethyl]ammonium CAS Name: 1,3-benzodioxol-5-ylmethyl-[(2R)-1-(5-chloro-2-methoxyanilino)-1-oxopropan-2-yl]ammonium IUPAC Name: 1,3-benzodioxol-5-ylmethyl-[(2R)-1-(5-chloro-2-methoxyanilino)-1-oxopropan-2-yl]azanium Traditional Name: [(1R)-2-(5-chloro-2-methoxy-anilino)-2-keto-1-methyl-ethyl]-piperonyl-ammonium Formula: C18H20ClN2O4+ MolecularWeight: 363.8154

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=C(C=CC(=C1)Cl)OC)[NH2+]CC2=CC3=C(C=C2)OCO3

Isomeric SMILES

C[C@H](C(=O)NC1=C(C=CC(=C1)Cl)OC)[NH2+]CC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C18H19ClN2O4/c1-11(18(22)21-14-8-13(19)4-6-15(14)23-2)20-9-12-3-5-16-17(7-12)25-10-24-16/h3-8,11,20H,9-10H2,1-2H3,(H,21,22)/p+1/t11-/m1/s1