2-[3-[4-[(4-cyanophenyl)methyl]piperazin-4-ium-1-yl]-3-oxidanylidene-propyl]-N,N,1-trimethyl-benzimidazole-5-sulfonamide

Systemtic Name: 2-[3-[4-[(4-cyanophenyl)methyl]piperazin-4-ium-1-yl]-3-oxidanylidene-propyl]-N,N,1-trimethyl-benzimidazole-5-sulfonamide Openeye Name: 2-[3-[4-[(4-cyanophenyl)methyl]piperazin-4-ium-1-yl]-3-oxo-propyl]-N,N,1-trimethyl-benzimidazole-5-sulfonamide CAS Name: 2-[3-[4-[(4-cyanophenyl)methyl]-1-piperazin-4-iumyl]-3-oxopropyl]-N,N,1-trimethyl-5-benzimidazolesulfonamide IUPAC Name: 2-[3-[4-[(4-cyanophenyl)methyl]piperazin-4-ium-1-yl]-3-oxopropyl]-N,N,1-trimethylbenzimidazole-5-sulfonamide Traditional Name: 2-[3-[4-(4-cyanobenzyl)piperazin-4-ium-1-yl]-3-keto-propyl]-N,N,1-trimethyl-benzimidazole-5-sulfonamide Formula: C25H31N6O3S+ MolecularWeight: 495.61704

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=C(C=C2)S(=O)(=O)N(C)C)N=C1CCC(=O)N3CC[NH+](CC3)CC4=CC=C(C=C4)C#N

Isomeric SMILES

CN1C2=C(C=C(C=C2)S(=O)(=O)N(C)C)N=C1CCC(=O)N3CC[NH+](CC3)CC4=CC=C(C=C4)C#N

InChI

InChI=1S/C25H30N6O3S/c1-28(2)35(33,34)21-8-9-23-22(16-21)27-24(29(23)3)10-11-25(32)31-14-12-30(13-15-31)18-20-6-4-19(17-26)5-7-20/h4-9,16H,10-15,18H2,1-3H3/p+1