N-[(2,5-dimethylphenyl)methyl]-4-methyl-N-(4-methylphenyl)sulfonyl-piperazin-4-ium-1-carboxamide

Systemtic Name: N-[(2,5-dimethylphenyl)methyl]-4-methyl-N-(4-methylphenyl)sulfonyl-piperazin-4-ium-1-carboxamide Openeye Name: N-[(2,5-dimethylphenyl)methyl]-4-methyl-N-(p-tolylsulfonyl)piperazin-4-ium-1-carboxamide CAS Name: N-[(2,5-dimethylphenyl)methyl]-4-methyl-N-(4-methylphenyl)sulfonyl-1-piperazin-4-iumcarboxamide IUPAC Name: N-[(2,5-dimethylphenyl)methyl]-4-methyl-N-(4-methylphenyl)sulfonylpiperazin-4-ium-1-carboxamide Traditional Name: N-(2,5-dimethylbenzyl)-4-methyl-N-tosyl-piperazin-4-ium-1-carboxamide Formula: C22H30N3O3S+ MolecularWeight: 416.5569

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N(CC2=C(C=CC(=C2)C)C)C(=O)N3CC[NH+](CC3)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N(CC2=C(C=CC(=C2)C)C)C(=O)N3CC[NH+](CC3)C

InChI

InChI=1S/C22H29N3O3S/c1-17-6-9-21(10-7-17)29(27,28)25(16-20-15-18(2)5-8-19(20)3)22(26)24-13-11-23(4)12-14-24/h5-10,15H,11-14,16H2,1-4H3/p+1