1-ethyl-5-piperidin-1-ylsulfonyl-2-[(4-pyridin-1-ium-2-ylpiperazin-1-yl)methyl]benzimidazole

Systemtic Name: 1-ethyl-5-piperidin-1-ylsulfonyl-2-[(4-pyridin-1-ium-2-ylpiperazin-1-yl)methyl]benzimidazole Openeye Name: 1-ethyl-5-(1-piperidylsulfonyl)-2-[(4-pyridin-1-ium-2-ylpiperazin-1-yl)methyl]benzimidazole CAS Name: 1-ethyl-5-(1-piperidinylsulfonyl)-2-[[4-(2-pyridin-1-iumyl)-1-piperazinyl]methyl]benzimidazole IUPAC Name: 1-ethyl-5-piperidin-1-ylsulfonyl-2-[(4-pyridin-1-ium-2-ylpiperazin-1-yl)methyl]benzimidazole Traditional Name: 1-ethyl-5-piperidinosulfonyl-2-[(4-pyridin-1-ium-2-ylpiperazino)methyl]benzimidazole Formula: C24H33N6O2S+ MolecularWeight: 469.62282

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCCCC3)N=C1CN4CCN(CC4)C5=CC=CC=[NH+]5

Isomeric SMILES

CCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCCCC3)N=C1CN4CCN(CC4)C5=CC=CC=[NH+]5

InChI

InChI=1S/C24H32N6O2S/c1-2-30-22-10-9-20(33(31,32)29-12-6-3-7-13-29)18-21(22)26-24(30)19-27-14-16-28(17-15-27)23-8-4-5-11-25-23/h4-5,8-11,18H,2-3,6-7,12-17,19H2,1H3/p+1