[2-(1,3-benzodioxol-5-ylamino)-2-oxidanylidene-ethyl]-[(5-bromanyl-2-methoxy-phenyl)methyl]-methyl-azanium

Systemtic Name: [2-(1,3-benzodioxol-5-ylamino)-2-oxidanylidene-ethyl]-[(5-bromanyl-2-methoxy-phenyl)methyl]-methyl-azanium Openeye Name: [2-(1,3-benzodioxol-5-ylamino)-2-oxo-ethyl]-[(5-bromo-2-methoxy-phenyl)methyl]-methyl-ammonium CAS Name: [2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]-[(5-bromo-2-methoxyphenyl)methyl]-methylammonium IUPAC Name: [2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]-[(5-bromo-2-methoxyphenyl)methyl]-methylazanium Traditional Name: [2-(1,3-benzodioxol-5-ylamino)-2-keto-ethyl]-(5-bromo-2-methoxy-benzyl)-methyl-ammonium Formula: C18H20BrN2O4+ MolecularWeight: 408.2664

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=C(C=CC(=C1)Br)OC)CC(=O)NC2=CC3=C(C=C2)OCO3

Isomeric SMILES

C[NH+](CC1=C(C=CC(=C1)Br)OC)CC(=O)NC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C18H19BrN2O4/c1-21(9-12-7-13(19)3-5-15(12)23-2)10-18(22)20-14-4-6-16-17(8-14)25-11-24-16/h3-8H,9-11H2,1-2H3,(H,20,22)/p+1