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

Systemtic Name: 1-ethyl-2-[[4-(phenylmethyl)piperidin-1-ium-1-yl]methyl]-5-piperidin-1-ylsulfonyl-benzimidazole Openeye Name: 2-[(4-benzylpiperidin-1-ium-1-yl)methyl]-1-ethyl-5-(1-piperidylsulfonyl)benzimidazole CAS Name: 1-ethyl-2-[[4-(phenylmethyl)-1-piperidin-1-iumyl]methyl]-5-(1-piperidinylsulfonyl)benzimidazole IUPAC Name: 2-[(4-benzylpiperidin-1-ium-1-yl)methyl]-1-ethyl-5-piperidin-1-ylsulfonylbenzimidazole Traditional Name: 2-[(4-benzylpiperidin-1-ium-1-yl)methyl]-1-ethyl-5-piperidinosulfonyl-benzimidazole Formula: C27H37N4O2S+ MolecularWeight: 481.67328

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCCCC3)N=C1C[NH+]4CCC(CC4)CC5=CC=CC=C5

Isomeric SMILES

CCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCCCC3)N=C1C[NH+]4CCC(CC4)CC5=CC=CC=C5

InChI

InChI=1S/C27H36N4O2S/c1-2-31-26-12-11-24(34(32,33)30-15-7-4-8-16-30)20-25(26)28-27(31)21-29-17-13-23(14-18-29)19-22-9-5-3-6-10-22/h3,5-6,9-12,20,23H,2,4,7-8,13-19,21H2,1H3/p+1