N,3,4-trimethyl-N-[2-[4-[(3-methylphenyl)methyl]piperazin-4-ium-1-yl]-2-oxidanylidene-ethyl]benzenesulfonamide

Systemtic Name: N,3,4-trimethyl-N-[2-[4-[(3-methylphenyl)methyl]piperazin-4-ium-1-yl]-2-oxidanylidene-ethyl]benzenesulfonamide Openeye Name: N,3,4-trimethyl-N-[2-[4-(m-tolylmethyl)piperazin-4-ium-1-yl]-2-oxo-ethyl]benzenesulfonamide CAS Name: N,3,4-trimethyl-N-[2-[4-[(3-methylphenyl)methyl]-1-piperazin-4-iumyl]-2-oxoethyl]benzenesulfonamide IUPAC Name: N,3,4-trimethyl-N-[2-[4-[(3-methylphenyl)methyl]piperazin-4-ium-1-yl]-2-oxoethyl]benzenesulfonamide Traditional Name: N-[2-keto-2-[4-(3-methylbenzyl)piperazin-4-ium-1-yl]ethyl]-N,3,4-trimethyl-benzenesulfonamide Formula: C23H32N3O3S+ MolecularWeight: 430.58348

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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