1-cyclohexyl-4-[[2-(cyclopropylmethylsulfonyl)-3-(2-methoxyethyl)imidazol-4-yl]methyl]piperazin-4-ium-2-one

Systemtic Name: 1-cyclohexyl-4-[[2-(cyclopropylmethylsulfonyl)-3-(2-methoxyethyl)imidazol-4-yl]methyl]piperazin-4-ium-2-one Openeye Name: 1-cyclohexyl-4-[[2-(cyclopropylmethylsulfonyl)-3-(2-methoxyethyl)imidazol-4-yl]methyl]piperazin-4-ium-2-one CAS Name: 1-cyclohexyl-4-[[2-(cyclopropylmethylsulfonyl)-3-(2-methoxyethyl)-4-imidazolyl]methyl]-2-piperazin-4-iumone IUPAC Name: 1-cyclohexyl-4-[[2-(cyclopropylmethylsulfonyl)-3-(2-methoxyethyl)imidazol-4-yl]methyl]piperazin-4-ium-2-one Traditional Name: 1-cyclohexyl-4-[[2-(cyclopropylmethylsulfonyl)-3-(2-methoxyethyl)imidazol-4-yl]methyl]piperazin-4-ium-2-one Formula: C21H35N4O4S+ MolecularWeight: 439.592

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Descriptors Computed from Structure

Canonical SMILES:

COCCN1C(=CN=C1S(=O)(=O)CC2CC2)C[NH+]3CCN(C(=O)C3)C4CCCCC4

Isomeric SMILES

COCCN1C(=CN=C1S(=O)(=O)CC2CC2)C[NH+]3CCN(C(=O)C3)C4CCCCC4

InChI

InChI=1S/C21H34N4O4S/c1-29-12-11-25-19(13-22-21(25)30(27,28)16-17-7-8-17)14-23-9-10-24(20(26)15-23)18-5-3-2-4-6-18/h13,17-18H,2-12,14-16H2,1H3/p+1