(4-methyl-2-oxidanyl-5,6,8,8a-tetrahydrochromen-7-ylidene)-[3-(4-methylpiperazin-4-ium-1-yl)sulfonylphenyl]carbonyl-azanium

Systemtic Name: (4-methyl-2-oxidanyl-5,6,8,8a-tetrahydrochromen-7-ylidene)-[3-(4-methylpiperazin-4-ium-1-yl)sulfonylphenyl]carbonyl-azanium Openeye Name: (2-hydroxy-4-methyl-5,6,8,8a-tetrahydrochromen-7-ylidene)-[3-(4-methylpiperazin-4-ium-1-yl)sulfonylbenzoyl]ammonium CAS Name: (2-hydroxy-4-methyl-5,6,8,8a-tetrahydro-1-benzopyran-7-ylidene)-[[3-[(4-methyl-1-piperazin-4-iumyl)sulfonyl]phenyl]-oxomethyl]ammonium IUPAC Name: (2-hydroxy-4-methyl-5,6,8,8a-tetrahydrochromen-7-ylidene)-[3-(4-methylpiperazin-4-ium-1-yl)sulfonylbenzoyl]azanium Traditional Name: (2-hydroxy-4-methyl-5,6,8,8a-tetrahydrochromen-7-ylidene)-[3-(4-methylpiperazin-4-ium-1-yl)sulfonylbenzoyl]ammonium Formula: C22H29N3O5S+2 MolecularWeight: 447.54776

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2CCC(=[NH+]C(=O)C3=CC(=CC=C3)S(=O)(=O)N4CC[NH+](CC4)C)CC2OC(=C1)O

Isomeric SMILES

CC1=C2CCC(=[NH+]C(=O)C3=CC(=CC=C3)S(=O)(=O)N4CC[NH+](CC4)C)CC2OC(=C1)O

InChI

InChI=1S/C22H27N3O5S/c1-15-12-21(26)30-20-14-17(6-7-19(15)20)23-22(27)16-4-3-5-18(13-16)31(28,29)25-10-8-24(2)9-11-25/h3-5,12-13,20,26H,6-11,14H2,1-2H3/p+2