[2-[(6-bromanyl-2,3-dihydro-1,4-benzodioxin-7-yl)amino]-2-oxidanylidene-ethyl]-methyl-(naphthalen-2-ylmethyl)azanium

Systemtic Name: [2-[(6-bromanyl-2,3-dihydro-1,4-benzodioxin-7-yl)amino]-2-oxidanylidene-ethyl]-methyl-(naphthalen-2-ylmethyl)azanium Openeye Name: [2-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)amino]-2-oxo-ethyl]-methyl-(2-naphthylmethyl)ammonium CAS Name: [2-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)amino]-2-oxoethyl]-methyl-(2-naphthalenylmethyl)ammonium IUPAC Name: [2-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)amino]-2-oxoethyl]-methyl-(naphthalen-2-ylmethyl)azanium Traditional Name: [2-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)amino]-2-keto-ethyl]-methyl-(2-naphthylmethyl)ammonium Formula: C22H22BrN2O3+ MolecularWeight: 442.32568

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CC2=CC=CC=C2C=C1)CC(=O)NC3=CC4=C(C=C3Br)OCCO4

Isomeric SMILES

C[NH+](CC1=CC2=CC=CC=C2C=C1)CC(=O)NC3=CC4=C(C=C3Br)OCCO4

InChI

InChI=1S/C22H21BrN2O3/c1-25(13-15-6-7-16-4-2-3-5-17(16)10-15)14-22(26)24-19-12-21-20(11-18(19)23)27-8-9-28-21/h2-7,10-12H,8-9,13-14H2,1H3,(H,24,26)/p+1