1,3-benzodioxol-5-ylmethyl-[2-[(4-bromanyl-3-methyl-phenyl)amino]-2-oxidanylidene-ethyl]-methyl-azanium

Systemtic Name: 1,3-benzodioxol-5-ylmethyl-[2-[(4-bromanyl-3-methyl-phenyl)amino]-2-oxidanylidene-ethyl]-methyl-azanium Openeye Name: 1,3-benzodioxol-5-ylmethyl-[2-(4-bromo-3-methyl-anilino)-2-oxo-ethyl]-methyl-ammonium CAS Name: 1,3-benzodioxol-5-ylmethyl-[2-(4-bromo-3-methylanilino)-2-oxoethyl]-methylammonium IUPAC Name: 1,3-benzodioxol-5-ylmethyl-[2-(4-bromo-3-methylanilino)-2-oxoethyl]-methylazanium Traditional Name: [2-(4-bromo-3-methyl-anilino)-2-keto-ethyl]-methyl-piperonyl-ammonium Formula: C18H20BrN2O3+ MolecularWeight: 392.267

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NC(=O)C[NH+](C)CC2=CC3=C(C=C2)OCO3)Br

Isomeric SMILES

CC1=C(C=CC(=C1)NC(=O)C[NH+](C)CC2=CC3=C(C=C2)OCO3)Br

InChI

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