(2,3-dimethoxyphenyl)methyl-[(1-ethyl-5-piperidin-1-ylsulfonyl-benzimidazol-2-yl)methyl]-methyl-azanium

Systemtic Name: (2,3-dimethoxyphenyl)methyl-[(1-ethyl-5-piperidin-1-ylsulfonyl-benzimidazol-2-yl)methyl]-methyl-azanium Openeye Name: (2,3-dimethoxyphenyl)methyl-[[1-ethyl-5-(1-piperidylsulfonyl)benzimidazol-2-yl]methyl]-methyl-ammonium CAS Name: (2,3-dimethoxyphenyl)methyl-[[1-ethyl-5-(1-piperidinylsulfonyl)-2-benzimidazolyl]methyl]-methylammonium IUPAC Name: (2,3-dimethoxyphenyl)methyl-[(1-ethyl-5-piperidin-1-ylsulfonylbenzimidazol-2-yl)methyl]-methylazanium Traditional Name: (1-ethyl-5-piperidinosulfonyl-benzimidazol-2-yl)methyl-methyl-o-veratryl-ammonium Formula: C25H35N4O4S+ MolecularWeight: 487.6348

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCCCC3)N=C1C[NH+](C)CC4=C(C(=CC=C4)OC)OC

Isomeric SMILES

CCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCCCC3)N=C1C[NH+](C)CC4=C(C(=CC=C4)OC)OC

InChI

InChI=1S/C25H34N4O4S/c1-5-29-22-13-12-20(34(30,31)28-14-7-6-8-15-28)16-21(22)26-24(29)18-27(2)17-19-10-9-11-23(32-3)25(19)33-4/h9-13,16H,5-8,14-15,17-18H2,1-4H3/p+1