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

Systemtic Name: (4-methyl-2-oxidanyl-5,6,8,8a-tetrahydrochromen-7-ylidene)-(2-morpholin-4-yl-5-nitro-phenyl)carbonyl-azanium Openeye Name: (2-hydroxy-4-methyl-5,6,8,8a-tetrahydrochromen-7-ylidene)-(2-morpholino-5-nitro-benzoyl)ammonium CAS Name: (2-hydroxy-4-methyl-5,6,8,8a-tetrahydro-1-benzopyran-7-ylidene)-[[2-(4-morpholinyl)-5-nitrophenyl]-oxomethyl]ammonium IUPAC Name: (2-hydroxy-4-methyl-5,6,8,8a-tetrahydrochromen-7-ylidene)-(2-morpholin-4-yl-5-nitrobenzoyl)azanium Traditional Name: (2-hydroxy-4-methyl-5,6,8,8a-tetrahydrochromen-7-ylidene)-(2-morpholino-5-nitro-benzoyl)ammonium Formula: C21H24N3O6+ MolecularWeight: 414.43176

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23N3O6/c1-13-10-20(25)30-19-11-14(2-4-16(13)19)22-21(26)17-12-15(24(27)28)3-5-18(17)23-6-8-29-9-7-23/h3,5,10,12,19,25H,2,4,6-9,11H2,1H3/p+1