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

Systemtic Name: [4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-4-ium-1-yl]-[3-(4-methylpiperazin-4-ium-1-yl)sulfonylphenyl]methanone Openeye Name: [4-(2,3-dihydrobenzofuran-5-ylmethyl)piperazin-4-ium-1-yl]-[3-(4-methylpiperazin-4-ium-1-yl)sulfonylphenyl]methanone CAS Name: [4-(2,3-dihydrobenzofuran-5-ylmethyl)-1-piperazin-4-iumyl]-[3-[(4-methyl-1-piperazin-4-iumyl)sulfonyl]phenyl]methanone IUPAC Name: [4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-4-ium-1-yl]-[3-(4-methylpiperazin-4-ium-1-yl)sulfonylphenyl]methanone Traditional Name: [4-(coumaran-5-ylmethyl)piperazin-4-ium-1-yl]-[3-(4-methylpiperazin-4-ium-1-yl)sulfonylphenyl]methanone Formula: C25H34N4O4S+2 MolecularWeight: 486.62686

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)N3CC[NH+](CC3)CC4=CC5=C(C=C4)OCC5

Isomeric SMILES

C[NH+]1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)N3CC[NH+](CC3)CC4=CC5=C(C=C4)OCC5

InChI

InChI=1S/C25H32N4O4S/c1-26-8-14-29(15-9-26)34(31,32)23-4-2-3-22(18-23)25(30)28-12-10-27(11-13-28)19-20-5-6-24-21(17-20)7-16-33-24/h2-6,17-18H,7-16,19H2,1H3/p+2