1,3-benzodioxol-5-ylmethyl-[(2R)-1-[(4-bromophenyl)amino]-1-oxidanylidene-propan-2-yl]-methyl-azanium

Systemtic Name: 1,3-benzodioxol-5-ylmethyl-[(2R)-1-[(4-bromophenyl)amino]-1-oxidanylidene-propan-2-yl]-methyl-azanium Openeye Name: 1,3-benzodioxol-5-ylmethyl-[(1R)-2-(4-bromoanilino)-1-methyl-2-oxo-ethyl]-methyl-ammonium CAS Name: 1,3-benzodioxol-5-ylmethyl-[(2R)-1-(4-bromoanilino)-1-oxopropan-2-yl]-methylammonium IUPAC Name: 1,3-benzodioxol-5-ylmethyl-[(2R)-1-(4-bromoanilino)-1-oxopropan-2-yl]-methylazanium Traditional Name: [(1R)-2-(4-bromoanilino)-2-keto-1-methyl-ethyl]-methyl-piperonyl-ammonium Formula: C18H20BrN2O3+ MolecularWeight: 392.267

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H19BrN2O3/c1-12(18(22)20-15-6-4-14(19)5-7-15)21(2)10-13-3-8-16-17(9-13)24-11-23-16/h3-9,12H,10-11H2,1-2H3,(H,20,22)/p+1/t12-/m1/s1