[4-(2-azanyl-2-oxidanylidene-ethoxy)-3-bromanyl-5-methoxy-phenyl]methyl-(2-dimethylaminoethyl)azanium

Systemtic Name: [4-(2-azanyl-2-oxidanylidene-ethoxy)-3-bromanyl-5-methoxy-phenyl]methyl-(2-dimethylaminoethyl)azanium Openeye Name: [4-(2-amino-2-oxo-ethoxy)-3-bromo-5-methoxy-phenyl]methyl-(2-dimethylaminoethyl)ammonium CAS Name: [4-(2-amino-2-oxoethoxy)-3-bromo-5-methoxyphenyl]methyl-(2-dimethylaminoethyl)ammonium IUPAC Name: [4-(2-amino-2-oxoethoxy)-3-bromo-5-methoxyphenyl]methyl-(2-dimethylaminoethyl)azanium Traditional Name: [4-(2-amino-2-keto-ethoxy)-3-bromo-5-methoxy-benzyl]-(2-dimethylaminoethyl)ammonium Formula: C14H23BrN3O3+ MolecularWeight: 361.25472

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CC[NH2+]CC1=CC(=C(C(=C1)Br)OCC(=O)N)OC

Isomeric SMILES

CN(C)CC[NH2+]CC1=CC(=C(C(=C1)Br)OCC(=O)N)OC

InChI

InChI=1S/C14H22BrN3O3/c1-18(2)5-4-17-8-10-6-11(15)14(12(7-10)20-3)21-9-13(16)19/h6-7,17H,4-5,8-9H2,1-3H3,(H2,16,19)/p+1