N-[2-[(4-ethylpiperazin-4-ium-1-yl)methyl]-1-methyl-benzimidazol-5-yl]thiophene-2-carboxamide

Systemtic Name: N-[2-[(4-ethylpiperazin-4-ium-1-yl)methyl]-1-methyl-benzimidazol-5-yl]thiophene-2-carboxamide Openeye Name: N-[2-[(4-ethylpiperazin-4-ium-1-yl)methyl]-1-methyl-benzimidazol-5-yl]thiophene-2-carboxamide CAS Name: N-[2-[(4-ethyl-1-piperazin-4-iumyl)methyl]-1-methyl-5-benzimidazolyl]-2-thiophenecarboxamide IUPAC Name: N-[2-[(4-ethylpiperazin-4-ium-1-yl)methyl]-1-methylbenzimidazol-5-yl]thiophene-2-carboxamide Traditional Name: N-[2-[(4-ethylpiperazin-4-ium-1-yl)methyl]-1-methyl-benzimidazol-5-yl]thiophene-2-carboxamide Formula: C20H26N5OS+ MolecularWeight: 384.51834

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)CC2=NC3=C(N2C)C=CC(=C3)NC(=O)C4=CC=CS4

Isomeric SMILES

CC[NH+]1CCN(CC1)CC2=NC3=C(N2C)C=CC(=C3)NC(=O)C4=CC=CS4

InChI

InChI=1S/C20H25N5OS/c1-3-24-8-10-25(11-9-24)14-19-22-16-13-15(6-7-17(16)23(19)2)21-20(26)18-5-4-12-27-18/h4-7,12-13H,3,8-11,14H2,1-2H3,(H,21,26)/p+1