2-[2-azanylidene-3-(2-piperidin-1-ium-1-ylethyl)benzimidazol-1-yl]-1-(1,3-benzodioxol-5-yl)ethanol chloride

Systemtic Name: 2-[2-azanylidene-3-(2-piperidin-1-ium-1-ylethyl)benzimidazol-1-yl]-1-(1,3-benzodioxol-5-yl)ethanol chloride Openeye Name: 1-(1,3-benzodioxol-5-yl)-2-[2-imino-3-(2-piperidin-1-ium-1-ylethyl)benzimidazol-1-yl]ethanol chloride CAS Name: 1-(1,3-benzodioxol-5-yl)-2-[2-imino-3-[2-(1-piperidin-1-iumyl)ethyl]-1-benzimidazolyl]ethanol chloride IUPAC Name: 1-(1,3-benzodioxol-5-yl)-2-[2-imino-3-(2-piperidin-1-ium-1-ylethyl)benzimidazol-1-yl]ethanol chloride Traditional Name: 1-(1,3-benzodioxol-5-yl)-2-[2-imino-3-(2-piperidin-1-ium-1-ylethyl)benzimidazol-1-yl]ethanol chloride Formula: C23H29ClN4O3 MolecularWeight: 444.95436

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CCN2C3=CC=CC=C3N(C2=N)CC(C4=CC5=C(C=C4)OCO5)O.[Cl-]

Isomeric SMILES

C1CC[NH+](CC1)CCN2C3=CC=CC=C3N(C2=N)CC(C4=CC5=C(C=C4)OCO5)O.[Cl-]

InChI

InChI=1S/C23H28N4O3.ClH/c24-23-26(13-12-25-10-4-1-5-11-25)18-6-2-3-7-19(18)27(23)15-20(28)17-8-9-21-22(14-17)30-16-29-21;/h2-3,6-9,14,20,24,28H,1,4-5,10-13,15-16H2;1H