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

Systemtic Name: 2-(4-ethylsulfonylpiperazin-1-ium-1-yl)ethanoyl-(4-methyl-2-oxidanyl-5,6,8,8a-tetrahydrochromen-7-ylidene)azanium Openeye Name: [2-(4-ethylsulfonylpiperazin-1-ium-1-yl)acetyl]-(2-hydroxy-4-methyl-5,6,8,8a-tetrahydrochromen-7-ylidene)ammonium CAS Name: [2-(4-ethylsulfonyl-1-piperazin-1-iumyl)-1-oxoethyl]-(2-hydroxy-4-methyl-5,6,8,8a-tetrahydro-1-benzopyran-7-ylidene)ammonium IUPAC Name: [2-(4-ethylsulfonylpiperazin-1-ium-1-yl)acetyl]-(2-hydroxy-4-methyl-5,6,8,8a-tetrahydrochromen-7-ylidene)azanium Traditional Name: [2-(4-esylpiperazin-1-ium-1-yl)acetyl]-(2-hydroxy-4-methyl-5,6,8,8a-tetrahydrochromen-7-ylidene)ammonium Formula: C18H29N3O5S+2 MolecularWeight: 399.50496

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)N1CC[NH+](CC1)CC(=O)[NH+]=C2CCC3=C(C=C(OC3C2)O)C

Isomeric SMILES

CCS(=O)(=O)N1CC[NH+](CC1)CC(=O)[NH+]=C2CCC3=C(C=C(OC3C2)O)C

InChI

InChI=1S/C18H27N3O5S/c1-3-27(24,25)21-8-6-20(7-9-21)12-17(22)19-14-4-5-15-13(2)10-18(23)26-16(15)11-14/h10,16,23H,3-9,11-12H2,1-2H3/p+2