4-[(3-phenethyl-2-propan-2-ylsulfonyl-imidazol-4-yl)methyl]thiomorpholin-4-ium

Systemtic Name: 4-[(3-phenethyl-2-propan-2-ylsulfonyl-imidazol-4-yl)methyl]thiomorpholin-4-ium Openeye Name: 4-[(2-isopropylsulfonyl-3-phenethyl-imidazol-4-yl)methyl]thiomorpholin-4-ium CAS Name: 4-[(3-phenethyl-2-propan-2-ylsulfonyl-4-imidazolyl)methyl]thiomorpholin-4-ium IUPAC Name: 4-[(3-phenethyl-2-propan-2-ylsulfonylimidazol-4-yl)methyl]thiomorpholin-4-ium Traditional Name: 4-[(2-isopropylsulfonyl-3-phenethyl-imidazol-4-yl)methyl]thiomorpholin-4-ium Formula: C19H28N3O2S2+ MolecularWeight: 394.57452

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)S(=O)(=O)C1=NC=C(N1CCC2=CC=CC=C2)C[NH+]3CCSCC3

Isomeric SMILES

CC(C)S(=O)(=O)C1=NC=C(N1CCC2=CC=CC=C2)C[NH+]3CCSCC3

InChI

InChI=1S/C19H27N3O2S2/c1-16(2)26(23,24)19-20-14-18(15-21-10-12-25-13-11-21)22(19)9-8-17-6-4-3-5-7-17/h3-7,14,16H,8-13,15H2,1-2H3/p+1