4-[[3-(2-methylpropyl)-2-(phenylmethyl)sulfonyl-imidazol-4-yl]methyl]piperazin-4-ium-2-one

Systemtic Name: 4-[[3-(2-methylpropyl)-2-(phenylmethyl)sulfonyl-imidazol-4-yl]methyl]piperazin-4-ium-2-one Openeye Name: 4-[(2-benzylsulfonyl-3-isobutyl-imidazol-4-yl)methyl]piperazin-4-ium-2-one CAS Name: 4-[[3-(2-methylpropyl)-2-(phenylmethyl)sulfonyl-4-imidazolyl]methyl]-2-piperazin-4-iumone IUPAC Name: 4-[[2-benzylsulfonyl-3-(2-methylpropyl)imidazol-4-yl]methyl]piperazin-4-ium-2-one Traditional Name: 4-[(2-benzylsulfonyl-3-isobutyl-imidazol-4-yl)methyl]piperazin-4-ium-2-one Formula: C19H27N4O3S+ MolecularWeight: 391.50768

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C(=CN=C1S(=O)(=O)CC2=CC=CC=C2)C[NH+]3CCNC(=O)C3

Isomeric SMILES

CC(C)CN1C(=CN=C1S(=O)(=O)CC2=CC=CC=C2)C[NH+]3CCNC(=O)C3

InChI

InChI=1S/C19H26N4O3S/c1-15(2)11-23-17(12-22-9-8-20-18(24)13-22)10-21-19(23)27(25,26)14-16-6-4-3-5-7-16/h3-7,10,15H,8-9,11-14H2,1-2H3,(H,20,24)/p+1