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

Systemtic Name: (2S)-1-[(1-ethyl-5-piperidin-1-ylsulfonyl-benzimidazol-2-yl)methyl]pyrrolidin-1-ium-2-carboxamide Openeye Name: (2S)-1-[[1-ethyl-5-(1-piperidylsulfonyl)benzimidazol-2-yl]methyl]pyrrolidin-1-ium-2-carboxamide CAS Name: (2S)-1-[[1-ethyl-5-(1-piperidinylsulfonyl)-2-benzimidazolyl]methyl]-2-pyrrolidin-1-iumcarboxamide IUPAC Name: (2S)-1-[(1-ethyl-5-piperidin-1-ylsulfonylbenzimidazol-2-yl)methyl]pyrrolidin-1-ium-2-carboxamide Traditional Name: (2S)-1-[(1-ethyl-5-piperidinosulfonyl-benzimidazol-2-yl)methyl]pyrrolidin-1-ium-2-carboxamide Formula: C20H30N5O3S+ MolecularWeight: 420.5489

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCCCC3)N=C1C[NH+]4CCCC4C(=O)N

Isomeric SMILES

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

InChI

InChI=1S/C20H29N5O3S/c1-2-25-17-9-8-15(29(27,28)24-11-4-3-5-12-24)13-16(17)22-19(25)14-23-10-6-7-18(23)20(21)26/h8-9,13,18H,2-7,10-12,14H2,1H3,(H2,21,26)/p+1/t18-/m0/s1