2-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]-N-ethyl-N-(phenylmethyl)ethanamide

Systemtic Name: 2-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]-N-ethyl-N-(phenylmethyl)ethanamide Openeye Name: N-benzyl-2-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]-N-ethyl-acetamide CAS Name: 2-[4-(3,4-dimethylphenyl)sulfonyl-1-piperazin-1-iumyl]-N-ethyl-N-(phenylmethyl)acetamide IUPAC Name: N-benzyl-2-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]-N-ethylacetamide Traditional Name: N-benzyl-2-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]-N-ethyl-acetamide Formula: C23H32N3O3S+ MolecularWeight: 430.58348

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1=CC=CC=C1)C(=O)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC(=C(C=C3)C)C

Isomeric SMILES

CCN(CC1=CC=CC=C1)C(=O)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC(=C(C=C3)C)C

InChI

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