methyl 2-[2-azanyl-3-(2-diethylaminoethyl)benzimidazol-1-ium-1-yl]ethanoate bromide

Systemtic Name: methyl 2-[2-azanyl-3-(2-diethylaminoethyl)benzimidazol-1-ium-1-yl]ethanoate bromide Openeye Name: methyl 2-[2-amino-3-(2-diethylaminoethyl)benzimidazol-1-ium-1-yl]acetate bromide CAS Name: 2-[2-amino-3-(2-diethylaminoethyl)-1-benzimidazol-1-iumyl]acetic acid methyl ester bromide IUPAC Name: methyl 2-[2-amino-3-(2-diethylaminoethyl)benzimidazol-1-ium-1-yl]acetate bromide Traditional Name: 2-[2-amino-3-(2-diethylaminoethyl)benzimidazol-1-ium-1-yl]acetic acid methyl ester bromide Formula: C16H25BrN4O2 MolecularWeight: 385.2993

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCN1C2=CC=CC=C2[N+](=C1N)CC(=O)OC.[Br-]

Isomeric SMILES

CCN(CC)CCN1C2=CC=CC=C2[N+](=C1N)CC(=O)OC.[Br-]

InChI

InChI=1S/C16H24N4O2.BrH/c1-4-18(5-2)10-11-19-13-8-6-7-9-14(13)20(16(19)17)12-15(21)22-3;/h6-9,17H,4-5,10-12H2,1-3H3;1H