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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)CN(C)C(=O)C[NH+]2CCN(CC2)S(=O)(=O)CC3=CC=CC=C3)C

Isomeric SMILES

CC1=CC(=C(C=C1)CN(C)C(=O)C[NH+]2CCN(CC2)S(=O)(=O)CC3=CC=CC=C3)C

InChI

InChI=1S/C23H31N3O3S/c1-19-9-10-22(20(2)15-19)16-24(3)23(27)17-25-11-13-26(14-12-25)30(28,29)18-21-7-5-4-6-8-21/h4-10,15H,11-14,16-18H2,1-3H3/p+1