ethyl 4-[[1-methyl-5-(thiophen-2-ylcarbonylamino)benzimidazol-2-yl]methyl]piperazin-4-ium-1-carboxylate

Systemtic Name: ethyl 4-[[1-methyl-5-(thiophen-2-ylcarbonylamino)benzimidazol-2-yl]methyl]piperazin-4-ium-1-carboxylate Openeye Name: ethyl 4-[[1-methyl-5-(thiophene-2-carbonylamino)benzimidazol-2-yl]methyl]piperazin-4-ium-1-carboxylate CAS Name: 4-[[1-methyl-5-[[oxo(thiophen-2-yl)methyl]amino]-2-benzimidazolyl]methyl]-1-piperazin-4-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 4-[[1-methyl-5-(thiophene-2-carbonylamino)benzimidazol-2-yl]methyl]piperazin-4-ium-1-carboxylate Traditional Name: 4-[[1-methyl-5-(2-thenoylamino)benzimidazol-2-yl]methyl]piperazin-4-ium-1-carboxylic acid ethyl ester Formula: C21H26N5O3S+ MolecularWeight: 428.52784

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CC[NH+](CC1)CC2=NC3=C(N2C)C=CC(=C3)NC(=O)C4=CC=CS4

Isomeric SMILES

CCOC(=O)N1CC[NH+](CC1)CC2=NC3=C(N2C)C=CC(=C3)NC(=O)C4=CC=CS4

InChI

InChI=1S/C21H25N5O3S/c1-3-29-21(28)26-10-8-25(9-11-26)14-19-23-16-13-15(6-7-17(16)24(19)2)22-20(27)18-5-4-12-30-18/h4-7,12-13H,3,8-11,14H2,1-2H3,(H,22,27)/p+1