1-ethyl-2-[[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]methyl]-5-piperidin-1-ylsulfonyl-benzimidazole

Systemtic Name: 1-ethyl-2-[[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]methyl]-5-piperidin-1-ylsulfonyl-benzimidazole Openeye Name: 1-ethyl-2-[[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]methyl]-5-(1-piperidylsulfonyl)benzimidazole CAS Name: 1-ethyl-2-[[4-(3-methoxyphenyl)-1-piperazin-1-iumyl]methyl]-5-(1-piperidinylsulfonyl)benzimidazole IUPAC Name: 1-ethyl-2-[[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]methyl]-5-piperidin-1-ylsulfonylbenzimidazole Traditional Name: 1-ethyl-2-[[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]methyl]-5-piperidinosulfonyl-benzimidazole Formula: C26H36N5O3S+ MolecularWeight: 498.66074

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCCCC3)N=C1C[NH+]4CCN(CC4)C5=CC(=CC=C5)OC

Isomeric SMILES

CCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCCCC3)N=C1C[NH+]4CCN(CC4)C5=CC(=CC=C5)OC

InChI

InChI=1S/C26H35N5O3S/c1-3-31-25-11-10-23(35(32,33)30-12-5-4-6-13-30)19-24(25)27-26(31)20-28-14-16-29(17-15-28)21-8-7-9-22(18-21)34-2/h7-11,18-19H,3-6,12-17,20H2,1-2H3/p+1