4-[[2-methylsulfonyl-3-(3-phenylpropyl)imidazol-4-yl]methyl]piperazin-4-ium-2-one

Systemtic Name: 4-[[2-methylsulfonyl-3-(3-phenylpropyl)imidazol-4-yl]methyl]piperazin-4-ium-2-one Openeye Name: 4-[[2-methylsulfonyl-3-(3-phenylpropyl)imidazol-4-yl]methyl]piperazin-4-ium-2-one CAS Name: 4-[[2-methylsulfonyl-3-(3-phenylpropyl)-4-imidazolyl]methyl]-2-piperazin-4-iumone IUPAC Name: 4-[[2-methylsulfonyl-3-(3-phenylpropyl)imidazol-4-yl]methyl]piperazin-4-ium-2-one Traditional Name: 4-[[2-mesyl-3-(3-phenylpropyl)imidazol-4-yl]methyl]piperazin-4-ium-2-one Formula: C18H25N4O3S+ MolecularWeight: 377.4811

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=NC=C(N1CCCC2=CC=CC=C2)C[NH+]3CCNC(=O)C3

Isomeric SMILES

CS(=O)(=O)C1=NC=C(N1CCCC2=CC=CC=C2)C[NH+]3CCNC(=O)C3

InChI

InChI=1S/C18H24N4O3S/c1-26(24,25)18-20-12-16(13-21-11-9-19-17(23)14-21)22(18)10-5-8-15-6-3-2-4-7-15/h2-4,6-7,12H,5,8-11,13-14H2,1H3,(H,19,23)/p+1