ethyl (3S)-1-[(1-ethyl-5-piperidin-1-ylsulfonyl-benzimidazol-2-yl)methyl]piperidin-1-ium-3-carboxylate

Systemtic Name: ethyl (3S)-1-[(1-ethyl-5-piperidin-1-ylsulfonyl-benzimidazol-2-yl)methyl]piperidin-1-ium-3-carboxylate Openeye Name: ethyl (3S)-1-[[1-ethyl-5-(1-piperidylsulfonyl)benzimidazol-2-yl]methyl]piperidin-1-ium-3-carboxylate CAS Name: (3S)-1-[[1-ethyl-5-(1-piperidinylsulfonyl)-2-benzimidazolyl]methyl]-3-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl (3S)-1-[(1-ethyl-5-piperidin-1-ylsulfonylbenzimidazol-2-yl)methyl]piperidin-1-ium-3-carboxylate Traditional Name: (3S)-1-[(1-ethyl-5-piperidinosulfonyl-benzimidazol-2-yl)methyl]piperidin-1-ium-3-carboxylic acid ethyl ester Formula: C23H35N4O4S+ MolecularWeight: 463.6134

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCCCC3)N=C1C[NH+]4CCCC(C4)C(=O)OCC

Isomeric SMILES

CCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCCCC3)N=C1C[NH+]4CCC[C@@H](C4)C(=O)OCC

InChI

InChI=1S/C23H34N4O4S/c1-3-27-21-11-10-19(32(29,30)26-13-6-5-7-14-26)15-20(21)24-22(27)17-25-12-8-9-18(16-25)23(28)31-4-2/h10-11,15,18H,3-9,12-14,16-17H2,1-2H3/p+1/t18-/m0/s1