N-[(2-methylphenyl)methyl]-2-[4-(4-propylphenyl)sulfonylpiperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-[(2-methylphenyl)methyl]-2-[4-(4-propylphenyl)sulfonylpiperazin-1-ium-1-yl]ethanamide Openeye Name: N-(o-tolylmethyl)-2-[4-(4-propylphenyl)sulfonylpiperazin-1-ium-1-yl]acetamide CAS Name: N-[(2-methylphenyl)methyl]-2-[4-(4-propylphenyl)sulfonyl-1-piperazin-1-iumyl]acetamide IUPAC Name: N-[(2-methylphenyl)methyl]-2-[4-(4-propylphenyl)sulfonylpiperazin-1-ium-1-yl]acetamide Traditional Name: N-(2-methylbenzyl)-2-[4-(4-propylphenyl)sulfonylpiperazin-1-ium-1-yl]acetamide Formula: C23H32N3O3S+ MolecularWeight: 430.58348

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC(=O)NCC3=CC=CC=C3C

Isomeric SMILES

CCCC1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC(=O)NCC3=CC=CC=C3C

InChI

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