2-[4-[(2-methylphenyl)methyl]piperazin-1-ium-1-yl]-N-(2-methyl-5-piperidin-1-ylsulfonyl-phenyl)ethanamide

Systemtic Name: 2-[4-[(2-methylphenyl)methyl]piperazin-1-ium-1-yl]-N-(2-methyl-5-piperidin-1-ylsulfonyl-phenyl)ethanamide Openeye Name: N-[2-methyl-5-(1-piperidylsulfonyl)phenyl]-2-[4-(o-tolylmethyl)piperazin-1-ium-1-yl]acetamide CAS Name: 2-[4-[(2-methylphenyl)methyl]-1-piperazin-1-iumyl]-N-[2-methyl-5-(1-piperidinylsulfonyl)phenyl]acetamide IUPAC Name: 2-[4-[(2-methylphenyl)methyl]piperazin-1-ium-1-yl]-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)acetamide Traditional Name: 2-[4-(2-methylbenzyl)piperazin-1-ium-1-yl]-N-(2-methyl-5-piperidinosulfonyl-phenyl)acetamide Formula: C26H37N4O3S+ MolecularWeight: 485.66198

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)NC(=O)C[NH+]3CCN(CC3)CC4=CC=CC=C4C

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)NC(=O)C[NH+]3CCN(CC3)CC4=CC=CC=C4C

InChI

InChI=1S/C26H36N4O3S/c1-21-8-4-5-9-23(21)19-28-14-16-29(17-15-28)20-26(31)27-25-18-24(11-10-22(25)2)34(32,33)30-12-6-3-7-13-30/h4-5,8-11,18H,3,6-7,12-17,19-20H2,1-2H3,(H,27,31)/p+1