2-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-ium-1-yl]-N-[(2-methylphenyl)methyl]ethanamide

Systemtic Name: 2-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-ium-1-yl]-N-[(2-methylphenyl)methyl]ethanamide Openeye Name: 2-(4-indan-5-ylsulfonylpiperazin-1-ium-1-yl)-N-(o-tolylmethyl)acetamide CAS Name: 2-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)-1-piperazin-1-iumyl]-N-[(2-methylphenyl)methyl]acetamide IUPAC Name: 2-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-ium-1-yl]-N-[(2-methylphenyl)methyl]acetamide Traditional Name: 2-(4-indan-5-ylsulfonylpiperazin-1-ium-1-yl)-N-(2-methylbenzyl)acetamide Formula: C23H30N3O3S+ MolecularWeight: 428.5676

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CNC(=O)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC4=C(CCC4)C=C3

Isomeric SMILES

CC1=CC=CC=C1CNC(=O)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC4=C(CCC4)C=C3

InChI

InChI=1S/C23H29N3O3S/c1-18-5-2-3-6-21(18)16-24-23(27)17-25-11-13-26(14-12-25)30(28,29)22-10-9-19-7-4-8-20(19)15-22/h2-3,5-6,9-10,15H,4,7-8,11-14,16-17H2,1H3,(H,24,27)/p+1