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

Systemtic Name: [2-(1,3-benzodioxol-5-ylmethylamino)-2-oxidanylidene-ethyl]-[(4-bromophenyl)methyl]-methyl-azanium Openeye Name: [2-(1,3-benzodioxol-5-ylmethylamino)-2-oxo-ethyl]-[(4-bromophenyl)methyl]-methyl-ammonium CAS Name: [2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl]-[(4-bromophenyl)methyl]-methylammonium IUPAC Name: [2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl]-[(4-bromophenyl)methyl]-methylazanium Traditional Name: (4-bromobenzyl)-[2-keto-2-(piperonylamino)ethyl]-methyl-ammonium Formula: C18H20BrN2O3+ MolecularWeight: 392.267

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CC=C(C=C1)Br)CC(=O)NCC2=CC3=C(C=C2)OCO3

Isomeric SMILES

C[NH+](CC1=CC=C(C=C1)Br)CC(=O)NCC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C18H19BrN2O3/c1-21(10-13-2-5-15(19)6-3-13)11-18(22)20-9-14-4-7-16-17(8-14)24-12-23-16/h2-8H,9-12H2,1H3,(H,20,22)/p+1