(4-bromanyl-2,5-dimethoxy-phenyl)methyl-ethyl-[2-oxidanylidene-2-(propan-2-ylamino)ethyl]azanium

Systemtic Name: (4-bromanyl-2,5-dimethoxy-phenyl)methyl-ethyl-[2-oxidanylidene-2-(propan-2-ylamino)ethyl]azanium Openeye Name: (4-bromo-2,5-dimethoxy-phenyl)methyl-ethyl-[2-(isopropylamino)-2-oxo-ethyl]ammonium CAS Name: (4-bromo-2,5-dimethoxyphenyl)methyl-ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]ammonium IUPAC Name: (4-bromo-2,5-dimethoxyphenyl)methyl-ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]azanium Traditional Name: (4-bromo-2,5-dimethoxy-benzyl)-ethyl-[2-(isopropylamino)-2-keto-ethyl]ammonium Formula: C16H26BrN2O3+ MolecularWeight: 374.29324

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC1=CC(=C(C=C1OC)Br)OC)CC(=O)NC(C)C

Isomeric SMILES

CC[NH+](CC1=CC(=C(C=C1OC)Br)OC)CC(=O)NC(C)C

InChI

InChI=1S/C16H25BrN2O3/c1-6-19(10-16(20)18-11(2)3)9-12-7-15(22-5)13(17)8-14(12)21-4/h7-8,11H,6,9-10H2,1-5H3,(H,18,20)/p+1