ethyl 2-[2-azanylidene-3-(2-piperidin-1-ium-1-ylethyl)benzimidazol-1-yl]ethanoate bromide

Systemtic Name: ethyl 2-[2-azanylidene-3-(2-piperidin-1-ium-1-ylethyl)benzimidazol-1-yl]ethanoate bromide Openeye Name: ethyl 2-[2-imino-3-(2-piperidin-1-ium-1-ylethyl)benzimidazol-1-yl]acetate bromide CAS Name: 2-[2-imino-3-[2-(1-piperidin-1-iumyl)ethyl]-1-benzimidazolyl]acetic acid ethyl ester bromide IUPAC Name: ethyl 2-[2-imino-3-(2-piperidin-1-ium-1-ylethyl)benzimidazol-1-yl]acetate bromide Traditional Name: 2-[2-imino-3-(2-piperidin-1-ium-1-ylethyl)benzimidazol-1-yl]acetic acid ethyl ester bromide Formula: C18H27BrN4O2 MolecularWeight: 411.33658

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN1C2=CC=CC=C2N(C1=N)CC[NH+]3CCCCC3.[Br-]

Isomeric SMILES

CCOC(=O)CN1C2=CC=CC=C2N(C1=N)CC[NH+]3CCCCC3.[Br-]

InChI

InChI=1S/C18H26N4O2.BrH/c1-2-24-17(23)14-22-16-9-5-4-8-15(16)21(18(22)19)13-12-20-10-6-3-7-11-20;/h4-5,8-9,19H,2-3,6-7,10-14H2,1H3;1H