1-ethyl-N,N-dimethyl-2-[[(2S)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-ium-1-yl]methyl]benzimidazole-5-sulfonamide

Systemtic Name: 1-ethyl-N,N-dimethyl-2-[[(2S)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-ium-1-yl]methyl]benzimidazole-5-sulfonamide Openeye Name: 1-ethyl-N,N-dimethyl-2-[[(2S)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-ium-1-yl]methyl]benzimidazole-5-sulfonamide CAS Name: 1-ethyl-N,N-dimethyl-2-[[(2S)-2-(1-methyl-2-pyrrolyl)-1-pyrrolidin-1-iumyl]methyl]-5-benzimidazolesulfonamide IUPAC Name: 1-ethyl-N,N-dimethyl-2-[[(2S)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-ium-1-yl]methyl]benzimidazole-5-sulfonamide Traditional Name: 1-ethyl-N,N-dimethyl-2-[[(2S)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-ium-1-yl]methyl]benzimidazole-5-sulfonamide Formula: C21H30N5O2S+ MolecularWeight: 416.5602

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)S(=O)(=O)N(C)C)N=C1C[NH+]3CCCC3C4=CC=CN4C

Isomeric SMILES

CCN1C2=C(C=C(C=C2)S(=O)(=O)N(C)C)N=C1C[NH+]3CCC[C@H]3C4=CC=CN4C

InChI

InChI=1S/C21H29N5O2S/c1-5-26-18-11-10-16(29(27,28)23(2)3)14-17(18)22-21(26)15-25-13-7-9-20(25)19-8-6-12-24(19)4/h6,8,10-12,14,20H,5,7,9,13,15H2,1-4H3/p+1/t20-/m0/s1