(6-bromanyl-2,3-dihydro-1,4-benzodioxin-7-yl)methyl-[[4-(cyclopropylcarbamoyl)phenyl]methyl]-methyl-azanium

Systemtic Name: (6-bromanyl-2,3-dihydro-1,4-benzodioxin-7-yl)methyl-[[4-(cyclopropylcarbamoyl)phenyl]methyl]-methyl-azanium Openeye Name: (6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methyl-[[4-(cyclopropylcarbamoyl)phenyl]methyl]-methyl-ammonium CAS Name: (6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methyl-[[4-[(cyclopropylamino)-oxomethyl]phenyl]methyl]-methylammonium IUPAC Name: (6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methyl-[[4-(cyclopropylcarbamoyl)phenyl]methyl]-methylazanium Traditional Name: (6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methyl-[4-(cyclopropylcarbamoyl)benzyl]-methyl-ammonium Formula: C21H24BrN2O3+ MolecularWeight: 432.33086

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CC=C(C=C1)C(=O)NC2CC2)CC3=CC4=C(C=C3Br)OCCO4

Isomeric SMILES

C[NH+](CC1=CC=C(C=C1)C(=O)NC2CC2)CC3=CC4=C(C=C3Br)OCCO4

InChI

InChI=1S/C21H23BrN2O3/c1-24(13-16-10-19-20(11-18(16)22)27-9-8-26-19)12-14-2-4-15(5-3-14)21(25)23-17-6-7-17/h2-5,10-11,17H,6-9,12-13H2,1H3,(H,23,25)/p+1