(2R)-2-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]-N-methyl-N-(phenylmethyl)propanamide

Systemtic Name: (2R)-2-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]-N-methyl-N-(phenylmethyl)propanamide Openeye Name: (2R)-N-benzyl-2-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]-N-methyl-propanamide CAS Name: (2R)-2-[4-(2,5-dimethylphenyl)sulfonyl-1-piperazin-1-iumyl]-N-methyl-N-(phenylmethyl)propanamide IUPAC Name: (2R)-N-benzyl-2-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]-N-methylpropanamide Traditional Name: (2R)-N-benzyl-2-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]-N-methyl-propionamide Formula: C23H32N3O3S+ MolecularWeight: 430.58348

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)S(=O)(=O)N2CC[NH+](CC2)C(C)C(=O)N(C)CC3=CC=CC=C3

Isomeric SMILES

CC1=CC(=C(C=C1)C)S(=O)(=O)N2CC[NH+](CC2)[C@H](C)C(=O)N(C)CC3=CC=CC=C3

InChI

InChI=1S/C23H31N3O3S/c1-18-10-11-19(2)22(16-18)30(28,29)26-14-12-25(13-15-26)20(3)23(27)24(4)17-21-8-6-5-7-9-21/h5-11,16,20H,12-15,17H2,1-4H3/p+1/t20-/m1/s1