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

Systemtic Name: 4-[[2-(2-methoxyethylsulfonyl)-3-(phenylmethyl)imidazol-4-yl]methyl]piperazin-4-ium-2-one Openeye Name: 4-[[3-benzyl-2-(2-methoxyethylsulfonyl)imidazol-4-yl]methyl]piperazin-4-ium-2-one CAS Name: 4-[[2-(2-methoxyethylsulfonyl)-3-(phenylmethyl)-4-imidazolyl]methyl]-2-piperazin-4-iumone IUPAC Name: 4-[[3-benzyl-2-(2-methoxyethylsulfonyl)imidazol-4-yl]methyl]piperazin-4-ium-2-one Traditional Name: 4-[[3-benzyl-2-(2-methoxyethylsulfonyl)imidazol-4-yl]methyl]piperazin-4-ium-2-one Formula: C18H25N4O4S+ MolecularWeight: 393.4805

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Descriptors Computed from Structure

Canonical SMILES:

COCCS(=O)(=O)C1=NC=C(N1CC2=CC=CC=C2)C[NH+]3CCNC(=O)C3

Isomeric SMILES

COCCS(=O)(=O)C1=NC=C(N1CC2=CC=CC=C2)C[NH+]3CCNC(=O)C3

InChI

InChI=1S/C18H24N4O4S/c1-26-9-10-27(24,25)18-20-11-16(13-21-8-7-19-17(23)14-21)22(18)12-15-5-3-2-4-6-15/h2-6,11H,7-10,12-14H2,1H3,(H,19,23)/p+1