3-[4-[(3-butyl-2-cyclohexylsulfonyl-imidazol-4-yl)methyl]piperazin-1-ium-1-yl]propanamide

Systemtic Name: 3-[4-[(3-butyl-2-cyclohexylsulfonyl-imidazol-4-yl)methyl]piperazin-1-ium-1-yl]propanamide Openeye Name: 3-[4-[(3-butyl-2-cyclohexylsulfonyl-imidazol-4-yl)methyl]piperazin-1-ium-1-yl]propanamide CAS Name: 3-[4-[(3-butyl-2-cyclohexylsulfonyl-4-imidazolyl)methyl]-1-piperazin-1-iumyl]propanamide IUPAC Name: 3-[4-[(3-butyl-2-cyclohexylsulfonylimidazol-4-yl)methyl]piperazin-1-ium-1-yl]propanamide Traditional Name: 3-[4-[(3-butyl-2-cyclohexylsulfonyl-imidazol-4-yl)methyl]piperazin-1-ium-1-yl]propionamide Formula: C21H38N5O3S+ MolecularWeight: 440.62312

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=CN=C1S(=O)(=O)C2CCCCC2)CN3CC[NH+](CC3)CCC(=O)N

Isomeric SMILES

CCCCN1C(=CN=C1S(=O)(=O)C2CCCCC2)CN3CC[NH+](CC3)CCC(=O)N

InChI

InChI=1S/C21H37N5O3S/c1-2-3-10-26-18(17-25-14-12-24(13-15-25)11-9-20(22)27)16-23-21(26)30(28,29)19-7-5-4-6-8-19/h16,19H,2-15,17H2,1H3,(H2,22,27)/p+1