5-[(3-phenethyl-2-propan-2-ylsulfonyl-imidazol-4-yl)methyl]-4,5,6,7-tetrahydrothieno[3,2-c]pyridin-5-ium

Systemtic Name: 5-[(3-phenethyl-2-propan-2-ylsulfonyl-imidazol-4-yl)methyl]-4,5,6,7-tetrahydrothieno[3,2-c]pyridin-5-ium Openeye Name: 5-[(2-isopropylsulfonyl-3-phenethyl-imidazol-4-yl)methyl]-4,5,6,7-tetrahydrothieno[3,2-c]pyridin-5-ium CAS Name: 5-[(3-phenethyl-2-propan-2-ylsulfonyl-4-imidazolyl)methyl]-4,5,6,7-tetrahydrothieno[3,2-c]pyridin-5-ium IUPAC Name: 5-[(3-phenethyl-2-propan-2-ylsulfonylimidazol-4-yl)methyl]-4,5,6,7-tetrahydrothieno[3,2-c]pyridin-5-ium Traditional Name: 5-[(2-isopropylsulfonyl-3-phenethyl-imidazol-4-yl)methyl]-4,5,6,7-tetrahydrothieno[3,2-c]pyridin-5-ium Formula: C22H28N3O2S2+ MolecularWeight: 430.60662

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)S(=O)(=O)C1=NC=C(N1CCC2=CC=CC=C2)C[NH+]3CCC4=C(C3)C=CS4

Isomeric SMILES

CC(C)S(=O)(=O)C1=NC=C(N1CCC2=CC=CC=C2)C[NH+]3CCC4=C(C3)C=CS4

InChI

InChI=1S/C22H27N3O2S2/c1-17(2)29(26,27)22-23-14-20(25(22)12-8-18-6-4-3-5-7-18)16-24-11-9-21-19(15-24)10-13-28-21/h3-7,10,13-14,17H,8-9,11-12,15-16H2,1-2H3/p+1