2-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-ium-1-yl]ethanoyl-(4-methyl-2-oxidanyl-5,6,8,8a-tetrahydrochromen-7-ylidene)azanium

Systemtic Name: 2-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-ium-1-yl]ethanoyl-(4-methyl-2-oxidanyl-5,6,8,8a-tetrahydrochromen-7-ylidene)azanium Openeye Name: [2-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-ium-1-yl]acetyl]-(2-hydroxy-4-methyl-5,6,8,8a-tetrahydrochromen-7-ylidene)ammonium CAS Name: [2-[4-(4-ethoxyphenyl)sulfonyl-1-piperazin-1-iumyl]-1-oxoethyl]-(2-hydroxy-4-methyl-5,6,8,8a-tetrahydro-1-benzopyran-7-ylidene)ammonium IUPAC Name: [2-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-ium-1-yl]acetyl]-(2-hydroxy-4-methyl-5,6,8,8a-tetrahydrochromen-7-ylidene)azanium Traditional Name: (2-hydroxy-4-methyl-5,6,8,8a-tetrahydrochromen-7-ylidene)-[2-(4-p-phenetylsulfonylpiperazin-1-ium-1-yl)acetyl]ammonium Formula: C24H33N3O6S+2 MolecularWeight: 491.60032

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC(=O)[NH+]=C3CCC4=C(C=C(OC4C3)O)C

Isomeric SMILES

CCOC1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC(=O)[NH+]=C3CCC4=C(C=C(OC4C3)O)C

InChI

InChI=1S/C24H31N3O6S/c1-3-32-19-5-7-20(8-6-19)34(30,31)27-12-10-26(11-13-27)16-23(28)25-18-4-9-21-17(2)14-24(29)33-22(21)15-18/h5-8,14,22,29H,3-4,9-13,15-16H2,1-2H3/p+2