3-[3-[4-[(5-chloranylthiophen-2-yl)methyl]piperazin-1-ium-1-yl]propyl]-1H-benzimidazol-2-one

Systemtic Name: 3-[3-[4-[(5-chloranylthiophen-2-yl)methyl]piperazin-1-ium-1-yl]propyl]-1H-benzimidazol-2-one Openeye Name: 3-[3-[4-[(5-chloro-2-thienyl)methyl]piperazin-1-ium-1-yl]propyl]-1H-benzimidazol-2-one CAS Name: 3-[3-[4-[(5-chloro-2-thiophenyl)methyl]-1-piperazin-1-iumyl]propyl]-1H-benzimidazol-2-one IUPAC Name: 3-[3-[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-ium-1-yl]propyl]-1H-benzimidazol-2-one Traditional Name: 3-[3-[4-[(5-chloro-2-thienyl)methyl]piperazin-1-ium-1-yl]propyl]-1H-benzimidazol-2-one Formula: C19H24ClN4OS+ MolecularWeight: 391.93806

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCCN2C3=CC=CC=C3NC2=O)CC4=CC=C(S4)Cl

Isomeric SMILES

C1CN(CC[NH+]1CCCN2C3=CC=CC=C3NC2=O)CC4=CC=C(S4)Cl

InChI

InChI=1S/C19H23ClN4OS/c20-18-7-6-15(26-18)14-23-12-10-22(11-13-23)8-3-9-24-17-5-2-1-4-16(17)21-19(24)25/h1-2,4-7H,3,8-14H2,(H,21,25)/p+1