2-(2-azanylidene-3-phenacyl-benzimidazol-1-yl)ethyl-diethyl-azanium bromide

Systemtic Name: 2-(2-azanylidene-3-phenacyl-benzimidazol-1-yl)ethyl-diethyl-azanium bromide Openeye Name: diethyl-[2-(2-imino-3-phenacyl-benzimidazol-1-yl)ethyl]ammonium bromide CAS Name: diethyl-[2-(2-imino-3-phenacyl-1-benzimidazolyl)ethyl]ammonium bromide IUPAC Name: diethyl-[2-(2-imino-3-phenacylbenzimidazol-1-yl)ethyl]azanium bromide Traditional Name: diethyl-[2-(2-imino-3-phenacyl-benzimidazol-1-yl)ethyl]ammonium bromide Formula: C21H27BrN4O MolecularWeight: 431.36928

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCN1C2=CC=CC=C2N(C1=N)CC(=O)C3=CC=CC=C3.[Br-]

Isomeric SMILES

CC[NH+](CC)CCN1C2=CC=CC=C2N(C1=N)CC(=O)C3=CC=CC=C3.[Br-]

InChI

InChI=1S/C21H26N4O.BrH/c1-3-23(4-2)14-15-24-18-12-8-9-13-19(18)25(21(24)22)16-20(26)17-10-6-5-7-11-17;/h5-13,22H,3-4,14-16H2,1-2H3;1H