1-ethyl-N,N-dimethyl-2-[3-oxidanylidene-3-[4-(phenylmethyl)piperazin-4-ium-1-yl]propyl]benzimidazole-5-sulfonamide

Systemtic Name: 1-ethyl-N,N-dimethyl-2-[3-oxidanylidene-3-[4-(phenylmethyl)piperazin-4-ium-1-yl]propyl]benzimidazole-5-sulfonamide Openeye Name: 2-[3-(4-benzylpiperazin-4-ium-1-yl)-3-oxo-propyl]-1-ethyl-N,N-dimethyl-benzimidazole-5-sulfonamide CAS Name: 1-ethyl-N,N-dimethyl-2-[3-oxo-3-[4-(phenylmethyl)-1-piperazin-4-iumyl]propyl]-5-benzimidazolesulfonamide IUPAC Name: 2-[3-(4-benzylpiperazin-4-ium-1-yl)-3-oxopropyl]-1-ethyl-N,N-dimethylbenzimidazole-5-sulfonamide Traditional Name: 2-[3-(4-benzylpiperazin-4-ium-1-yl)-3-keto-propyl]-1-ethyl-N,N-dimethyl-benzimidazole-5-sulfonamide Formula: C25H34N5O3S+ MolecularWeight: 484.63416

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)S(=O)(=O)N(C)C)N=C1CCC(=O)N3CC[NH+](CC3)CC4=CC=CC=C4

Isomeric SMILES

CCN1C2=C(C=C(C=C2)S(=O)(=O)N(C)C)N=C1CCC(=O)N3CC[NH+](CC3)CC4=CC=CC=C4

InChI

InChI=1S/C25H33N5O3S/c1-4-30-23-11-10-21(34(32,33)27(2)3)18-22(23)26-24(30)12-13-25(31)29-16-14-28(15-17-29)19-20-8-6-5-7-9-20/h5-11,18H,4,12-17,19H2,1-3H3/p+1