[2-(1,3-benzodioxol-5-ylamino)-2-oxidanylidene-ethyl]-[(4-bromophenyl)methyl]-methyl-azanium

Systemtic Name: [2-(1,3-benzodioxol-5-ylamino)-2-oxidanylidene-ethyl]-[(4-bromophenyl)methyl]-methyl-azanium Openeye Name: [2-(1,3-benzodioxol-5-ylamino)-2-oxo-ethyl]-[(4-bromophenyl)methyl]-methyl-ammonium CAS Name: [2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]-[(4-bromophenyl)methyl]-methylammonium IUPAC Name: [2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]-[(4-bromophenyl)methyl]-methylazanium Traditional Name: [2-(1,3-benzodioxol-5-ylamino)-2-keto-ethyl]-(4-bromobenzyl)-methyl-ammonium Formula: C17H18BrN2O3+ MolecularWeight: 378.24042

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H17BrN2O3/c1-20(9-12-2-4-13(18)5-3-12)10-17(21)19-14-6-7-15-16(8-14)23-11-22-15/h2-8H,9-11H2,1H3,(H,19,21)/p+1