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

Systemtic Name: (6-bromanyl-2,3-dihydro-1,4-benzodioxin-7-yl)methyl-cyclopropyl-[[4-(cyclopropylcarbamoyl)phenyl]methyl]azanium Openeye Name: (6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methyl-cyclopropyl-[[4-(cyclopropylcarbamoyl)phenyl]methyl]ammonium CAS Name: (6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methyl-cyclopropyl-[[4-[(cyclopropylamino)-oxomethyl]phenyl]methyl]ammonium IUPAC Name: (6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methyl-cyclopropyl-[[4-(cyclopropylcarbamoyl)phenyl]methyl]azanium Traditional Name: (6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methyl-cyclopropyl-[4-(cyclopropylcarbamoyl)benzyl]ammonium Formula: C23H26BrN2O3+ MolecularWeight: 458.36814

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1NC(=O)C2=CC=C(C=C2)C[NH+](CC3=CC4=C(C=C3Br)OCCO4)C5CC5

Isomeric SMILES

C1CC1NC(=O)C2=CC=C(C=C2)C[NH+](CC3=CC4=C(C=C3Br)OCCO4)C5CC5

InChI

InChI=1S/C23H25BrN2O3/c24-20-12-22-21(28-9-10-29-22)11-17(20)14-26(19-7-8-19)13-15-1-3-16(4-2-15)23(27)25-18-5-6-18/h1-4,11-12,18-19H,5-10,13-14H2,(H,25,27)/p+1