N-[[4-[4-[(2-methoxy-5-methyl-phenyl)methyl]piperazin-4-ium-1-yl]sulfonylphenyl]methyl]ethanamide

Systemtic Name: N-[[4-[4-[(2-methoxy-5-methyl-phenyl)methyl]piperazin-4-ium-1-yl]sulfonylphenyl]methyl]ethanamide Openeye Name: N-[[4-[4-[(2-methoxy-5-methyl-phenyl)methyl]piperazin-4-ium-1-yl]sulfonylphenyl]methyl]acetamide CAS Name: N-[[4-[[4-[(2-methoxy-5-methylphenyl)methyl]-1-piperazin-4-iumyl]sulfonyl]phenyl]methyl]acetamide IUPAC Name: N-[[4-[4-[(2-methoxy-5-methylphenyl)methyl]piperazin-4-ium-1-yl]sulfonylphenyl]methyl]acetamide Traditional Name: N-[4-[4-(2-methoxy-5-methyl-benzyl)piperazin-4-ium-1-yl]sulfonylbenzyl]acetamide Formula: C22H30N3O4S+ MolecularWeight: 432.5563

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H29N3O4S/c1-17-4-9-22(29-3)20(14-17)16-24-10-12-25(13-11-24)30(27,28)21-7-5-19(6-8-21)15-23-18(2)26/h4-9,14H,10-13,15-16H2,1-3H3,(H,23,26)/p+1