(2R)-N-cyclohexyl-N-methyl-2-[4-(4-methylphenyl)sulfonylpiperazin-1-ium-1-yl]propanamide

Systemtic Name: (2R)-N-cyclohexyl-N-methyl-2-[4-(4-methylphenyl)sulfonylpiperazin-1-ium-1-yl]propanamide Openeye Name: (2R)-N-cyclohexyl-N-methyl-2-[4-(p-tolylsulfonyl)piperazin-1-ium-1-yl]propanamide CAS Name: (2R)-N-cyclohexyl-N-methyl-2-[4-(4-methylphenyl)sulfonyl-1-piperazin-1-iumyl]propanamide IUPAC Name: (2R)-N-cyclohexyl-N-methyl-2-[4-(4-methylphenyl)sulfonylpiperazin-1-ium-1-yl]propanamide Traditional Name: (2R)-N-cyclohexyl-N-methyl-2-(4-tosylpiperazin-1-ium-1-yl)propionamide Formula: C21H34N3O3S+ MolecularWeight: 408.57796

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)C(C)C(=O)N(C)C3CCCCC3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)[C@H](C)C(=O)N(C)C3CCCCC3

InChI

InChI=1S/C21H33N3O3S/c1-17-9-11-20(12-10-17)28(26,27)24-15-13-23(14-16-24)18(2)21(25)22(3)19-7-5-4-6-8-19/h9-12,18-19H,4-8,13-16H2,1-3H3/p+1/t18-/m1/s1