(4-methyl-2-oxidanyl-5,6,8,8a-tetrahydrochromen-7-ylidene)-(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-yl-phenyl)carbonyl-azanium

Systemtic Name: (4-methyl-2-oxidanyl-5,6,8,8a-tetrahydrochromen-7-ylidene)-(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-yl-phenyl)carbonyl-azanium Openeye Name: (2-hydroxy-4-methyl-5,6,8,8a-tetrahydrochromen-7-ylidene)-(5-morpholinosulfonyl-2-pyrrolidin-1-yl-benzoyl)ammonium CAS Name: (2-hydroxy-4-methyl-5,6,8,8a-tetrahydro-1-benzopyran-7-ylidene)-[[5-(4-morpholinylsulfonyl)-2-(1-pyrrolidinyl)phenyl]-oxomethyl]ammonium IUPAC Name: (2-hydroxy-4-methyl-5,6,8,8a-tetrahydrochromen-7-ylidene)-(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylbenzoyl)azanium Traditional Name: (2-hydroxy-4-methyl-5,6,8,8a-tetrahydrochromen-7-ylidene)-(5-morpholinosulfonyl-2-pyrrolidino-benzoyl)ammonium Formula: C25H32N3O6S+ MolecularWeight: 502.60308

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2CCC(=[NH+]C(=O)C3=C(C=CC(=C3)S(=O)(=O)N4CCOCC4)N5CCCC5)CC2OC(=C1)O

Isomeric SMILES

CC1=C2CCC(=[NH+]C(=O)C3=C(C=CC(=C3)S(=O)(=O)N4CCOCC4)N5CCCC5)CC2OC(=C1)O

InChI

InChI=1S/C25H31N3O6S/c1-17-14-24(29)34-23-15-18(4-6-20(17)23)26-25(30)21-16-19(5-7-22(21)27-8-2-3-9-27)35(31,32)28-10-12-33-13-11-28/h5,7,14,16,23,29H,2-4,6,8-13,15H2,1H3/p+1