[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-4-ium-1-yl]-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]methanone

Systemtic Name: [4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-4-ium-1-yl]-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]methanone Openeye Name: [4-(2,3-dihydrobenzofuran-5-ylmethyl)piperazin-4-ium-1-yl]-[1-(p-tolylsulfonyl)-4-piperidyl]methanone CAS Name: [4-(2,3-dihydrobenzofuran-5-ylmethyl)-1-piperazin-4-iumyl]-[1-(4-methylphenyl)sulfonyl-4-piperidinyl]methanone IUPAC Name: [4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-4-ium-1-yl]-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]methanone Traditional Name: [4-(coumaran-5-ylmethyl)piperazin-4-ium-1-yl]-(1-tosyl-4-piperidyl)methanone Formula: C26H34N3O4S+ MolecularWeight: 484.63086

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)N3CC[NH+](CC3)CC4=CC5=C(C=C4)OCC5

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)N3CC[NH+](CC3)CC4=CC5=C(C=C4)OCC5

InChI

InChI=1S/C26H33N3O4S/c1-20-2-5-24(6-3-20)34(31,32)29-11-8-22(9-12-29)26(30)28-15-13-27(14-16-28)19-21-4-7-25-23(18-21)10-17-33-25/h2-7,18,22H,8-17,19H2,1H3/p+1