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

Systemtic Name: 2-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]-N-methyl-N-(phenylmethyl)ethanamide Openeye Name: N-benzyl-2-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]-N-methyl-acetamide CAS Name: 2-[4-(2,5-dimethylphenyl)sulfonyl-1-piperazin-1-iumyl]-N-methyl-N-(phenylmethyl)acetamide IUPAC Name: N-benzyl-2-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]-N-methylacetamide Traditional Name: N-benzyl-2-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]-N-methyl-acetamide Formula: C22H30N3O3S+ MolecularWeight: 416.5569

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H29N3O3S/c1-18-9-10-19(2)21(15-18)29(27,28)25-13-11-24(12-14-25)17-22(26)23(3)16-20-7-5-4-6-8-20/h4-10,15H,11-14,16-17H2,1-3H3/p+1