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

Systemtic Name: (1-ethyl-5-piperidin-1-ylsulfonyl-benzimidazol-2-yl)methyl-[(R)-phenyl(thiophen-2-yl)methyl]azanium Openeye Name: [1-ethyl-5-(1-piperidylsulfonyl)benzimidazol-2-yl]methyl-[(R)-phenyl(2-thienyl)methyl]ammonium CAS Name: [1-ethyl-5-(1-piperidinylsulfonyl)-2-benzimidazolyl]methyl-[(R)-phenyl(thiophen-2-yl)methyl]ammonium IUPAC Name: (1-ethyl-5-piperidin-1-ylsulfonylbenzimidazol-2-yl)methyl-[(R)-phenyl(thiophen-2-yl)methyl]azanium Traditional Name: (1-ethyl-5-piperidinosulfonyl-benzimidazol-2-yl)methyl-[(R)-phenyl(2-thienyl)methyl]ammonium Formula: C26H31N4O2S2+ MolecularWeight: 495.67994

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCCCC3)N=C1C[NH2+]C(C4=CC=CC=C4)C5=CC=CS5

Isomeric SMILES

CCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCCCC3)N=C1C[NH2+][C@H](C4=CC=CC=C4)C5=CC=CS5

InChI

InChI=1S/C26H30N4O2S2/c1-2-30-23-14-13-21(34(31,32)29-15-7-4-8-16-29)18-22(23)28-25(30)19-27-26(24-12-9-17-33-24)20-10-5-3-6-11-20/h3,5-6,9-14,17-18,26-27H,2,4,7-8,15-16,19H2,1H3/p+1/t26-/m1/s1