ethyl 2-[2-azanylidene-3-(phenylmethyl)benzimidazol-1-yl]ethanoate; hydron; bromide

Systemtic Name: ethyl 2-[2-azanylidene-3-(phenylmethyl)benzimidazol-1-yl]ethanoate; hydron; bromide Openeye Name: ethyl 2-(3-benzyl-2-imino-benzimidazol-1-yl)acetate; hydron; bromide CAS Name: hydron; 2-[2-imino-3-(phenylmethyl)-1-benzimidazolyl]acetic acid ethyl ester; bromide IUPAC Name: ethyl 2-(3-benzyl-2-iminobenzimidazol-1-yl)acetate; hydron; bromide Traditional Name: 2-(3-benzyl-2-imino-benzimidazol-1-yl)acetic acid ethyl ester; hydron; bromide Formula: C18H20BrN3O2 MolecularWeight: 390.2743

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Descriptors Computed from Structure

Canonical SMILES:

[H+].CCOC(=O)CN1C2=CC=CC=C2N(C1=N)CC3=CC=CC=C3.[Br-]

Isomeric SMILES

[H+].CCOC(=O)CN1C2=CC=CC=C2N(C1=N)CC3=CC=CC=C3.[Br-]

InChI

InChI=1S/C18H19N3O2.BrH/c1-2-23-17(22)13-21-16-11-7-6-10-15(16)20(18(21)19)12-14-8-4-3-5-9-14;/h3-11,19H,2,12-13H2,1H3;1H