2,3-dihydro-1,4-benzodioxin-6-ylmethyl-[(1-ethyl-5-piperidin-1-ylsulfonyl-benzimidazol-2-yl)methyl]-methyl-azanium

Systemtic Name: 2,3-dihydro-1,4-benzodioxin-6-ylmethyl-[(1-ethyl-5-piperidin-1-ylsulfonyl-benzimidazol-2-yl)methyl]-methyl-azanium Openeye Name: 2,3-dihydro-1,4-benzodioxin-6-ylmethyl-[[1-ethyl-5-(1-piperidylsulfonyl)benzimidazol-2-yl]methyl]-methyl-ammonium CAS Name: 2,3-dihydro-1,4-benzodioxin-6-ylmethyl-[[1-ethyl-5-(1-piperidinylsulfonyl)-2-benzimidazolyl]methyl]-methylammonium IUPAC Name: 2,3-dihydro-1,4-benzodioxin-6-ylmethyl-[(1-ethyl-5-piperidin-1-ylsulfonylbenzimidazol-2-yl)methyl]-methylazanium Traditional Name: 2,3-dihydro-1,4-benzodioxin-6-ylmethyl-[(1-ethyl-5-piperidinosulfonyl-benzimidazol-2-yl)methyl]-methyl-ammonium Formula: C25H33N4O4S+ MolecularWeight: 485.61892

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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=CC5=C(C=C4)OCCO5

Isomeric SMILES

CCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCCCC3)N=C1C[NH+](C)CC4=CC5=C(C=C4)OCCO5

InChI

InChI=1S/C25H32N4O4S/c1-3-29-22-9-8-20(34(30,31)28-11-5-4-6-12-28)16-21(22)26-25(29)18-27(2)17-19-7-10-23-24(15-19)33-14-13-32-23/h7-10,15-16H,3-6,11-14,17-18H2,1-2H3/p+1