(4-methyl-2-oxidanyl-5,6,8,8a-tetrahydrochromen-7-ylidene)-[2-(4-methylsulfonylpiperazin-1-yl)-2-oxidanylidene-ethyl]azanium

Systemtic Name: (4-methyl-2-oxidanyl-5,6,8,8a-tetrahydrochromen-7-ylidene)-[2-(4-methylsulfonylpiperazin-1-yl)-2-oxidanylidene-ethyl]azanium Openeye Name: (2-hydroxy-4-methyl-5,6,8,8a-tetrahydrochromen-7-ylidene)-[2-(4-methylsulfonylpiperazin-1-yl)-2-oxo-ethyl]ammonium CAS Name: (2-hydroxy-4-methyl-5,6,8,8a-tetrahydro-1-benzopyran-7-ylidene)-[2-(4-methylsulfonyl-1-piperazinyl)-2-oxoethyl]ammonium IUPAC Name: (2-hydroxy-4-methyl-5,6,8,8a-tetrahydrochromen-7-ylidene)-[2-(4-methylsulfonylpiperazin-1-yl)-2-oxoethyl]azanium Traditional Name: (2-hydroxy-4-methyl-5,6,8,8a-tetrahydrochromen-7-ylidene)-[2-keto-2-(4-mesylpiperazino)ethyl]ammonium Formula: C17H26N3O5S+ MolecularWeight: 384.47044

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2CCC(=[NH+]CC(=O)N3CCN(CC3)S(=O)(=O)C)CC2OC(=C1)O

Isomeric SMILES

CC1=C2CCC(=[NH+]CC(=O)N3CCN(CC3)S(=O)(=O)C)CC2OC(=C1)O

InChI

InChI=1S/C17H25N3O5S/c1-12-9-17(22)25-15-10-13(3-4-14(12)15)18-11-16(21)19-5-7-20(8-6-19)26(2,23)24/h9,15,22H,3-8,10-11H2,1-2H3/p+1