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

Systemtic Name: (4-methyl-2-oxidanyl-5,6,8,8a-tetrahydrochromen-7-ylidene)-[1-(3-methylquinolin-8-yl)sulfonylpiperidin-4-yl]carbonyl-azanium Openeye Name: (2-hydroxy-4-methyl-5,6,8,8a-tetrahydrochromen-7-ylidene)-[1-[(3-methyl-8-quinolyl)sulfonyl]piperidine-4-carbonyl]ammonium CAS Name: (2-hydroxy-4-methyl-5,6,8,8a-tetrahydro-1-benzopyran-7-ylidene)-[[1-[(3-methyl-8-quinolinyl)sulfonyl]-4-piperidinyl]-oxomethyl]ammonium IUPAC Name: (2-hydroxy-4-methyl-5,6,8,8a-tetrahydrochromen-7-ylidene)-[1-(3-methylquinolin-8-yl)sulfonylpiperidine-4-carbonyl]azanium Traditional Name: (2-hydroxy-4-methyl-5,6,8,8a-tetrahydrochromen-7-ylidene)-[1-[(3-methyl-8-quinolyl)sulfonyl]isonipecotoyl]ammonium Formula: C26H30N3O5S+ MolecularWeight: 496.5985

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN=C2C(=C1)C=CC=C2S(=O)(=O)N3CCC(CC3)C(=O)[NH+]=C4CCC5=C(C=C(OC5C4)O)C

Isomeric SMILES

CC1=CN=C2C(=C1)C=CC=C2S(=O)(=O)N3CCC(CC3)C(=O)[NH+]=C4CCC5=C(C=C(OC5C4)O)C

InChI

InChI=1S/C26H29N3O5S/c1-16-12-19-4-3-5-23(25(19)27-15-16)35(32,33)29-10-8-18(9-11-29)26(31)28-20-6-7-21-17(2)13-24(30)34-22(21)14-20/h3-5,12-13,15,18,22,30H,6-11,14H2,1-2H3/p+1