(1-ethyl-5-piperidin-1-ylsulfonyl-benzimidazol-2-yl)methyl-(furan-2-ylmethyl)-methyl-azanium

Systemtic Name: (1-ethyl-5-piperidin-1-ylsulfonyl-benzimidazol-2-yl)methyl-(furan-2-ylmethyl)-methyl-azanium Openeye Name: [1-ethyl-5-(1-piperidylsulfonyl)benzimidazol-2-yl]methyl-(2-furylmethyl)-methyl-ammonium CAS Name: [1-ethyl-5-(1-piperidinylsulfonyl)-2-benzimidazolyl]methyl-(2-furanylmethyl)-methylammonium IUPAC Name: (1-ethyl-5-piperidin-1-ylsulfonylbenzimidazol-2-yl)methyl-(furan-2-ylmethyl)-methylazanium Traditional Name: (1-ethyl-5-piperidinosulfonyl-benzimidazol-2-yl)methyl-(2-furfuryl)-methyl-ammonium Formula: C21H29N4O3S+ MolecularWeight: 417.54496

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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=CC=CO4

Isomeric SMILES

CCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCCCC3)N=C1C[NH+](C)CC4=CC=CO4

InChI

InChI=1S/C21H28N4O3S/c1-3-25-20-10-9-18(29(26,27)24-11-5-4-6-12-24)14-19(20)22-21(25)16-23(2)15-17-8-7-13-28-17/h7-10,13-14H,3-6,11-12,15-16H2,1-2H3/p+1