[2-[(4-bromophenyl)methyl-methyl-amino]-2-oxidanylidene-ethyl]-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-methyl-azanium

Systemtic Name: [2-[(4-bromophenyl)methyl-methyl-amino]-2-oxidanylidene-ethyl]-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-methyl-azanium Openeye Name: [2-[(4-bromophenyl)methyl-methyl-amino]-2-oxo-ethyl]-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-methyl-ammonium CAS Name: [2-[(4-bromophenyl)methyl-methylamino]-2-oxoethyl]-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-methylammonium IUPAC Name: [2-[(4-bromophenyl)methyl-methylamino]-2-oxoethyl]-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-methylazanium Traditional Name: [2-[(4-bromobenzyl)-methyl-amino]-2-keto-ethyl]-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-methyl-ammonium Formula: C20H24BrN2O3+ MolecularWeight: 420.32016

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CC2=C(C=C1)OCCO2)CC(=O)N(C)CC3=CC=C(C=C3)Br

Isomeric SMILES

C[NH+](CC1=CC2=C(C=C1)OCCO2)CC(=O)N(C)CC3=CC=C(C=C3)Br

InChI

InChI=1S/C20H23BrN2O3/c1-22(12-16-5-8-18-19(11-16)26-10-9-25-18)14-20(24)23(2)13-15-3-6-17(21)7-4-15/h3-8,11H,9-10,12-14H2,1-2H3/p+1