(1-ethyl-5-piperidin-1-ylsulfonyl-benzimidazol-2-yl)methyl-[(1R)-1-(furan-2-yl)ethyl]azanium

Systemtic Name: (1-ethyl-5-piperidin-1-ylsulfonyl-benzimidazol-2-yl)methyl-[(1R)-1-(furan-2-yl)ethyl]azanium Openeye Name: [1-ethyl-5-(1-piperidylsulfonyl)benzimidazol-2-yl]methyl-[(1R)-1-(2-furyl)ethyl]ammonium CAS Name: [1-ethyl-5-(1-piperidinylsulfonyl)-2-benzimidazolyl]methyl-[(1R)-1-(2-furanyl)ethyl]ammonium IUPAC Name: (1-ethyl-5-piperidin-1-ylsulfonylbenzimidazol-2-yl)methyl-[(1R)-1-(furan-2-yl)ethyl]azanium Traditional Name: (1-ethyl-5-piperidinosulfonyl-benzimidazol-2-yl)methyl-[(1R)-1-(2-furyl)ethyl]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[NH2+]C(C)C4=CC=CO4

Isomeric SMILES

CCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCCCC3)N=C1C[NH2+][C@H](C)C4=CC=CO4

InChI

InChI=1S/C21H28N4O3S/c1-3-25-19-10-9-17(29(26,27)24-11-5-4-6-12-24)14-18(19)23-21(25)15-22-16(2)20-8-7-13-28-20/h7-10,13-14,16,22H,3-6,11-12,15H2,1-2H3/p+1/t16-/m1/s1