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

Systemtic Name: (4-methyl-2-oxidanyl-5,6,8,8a-tetrahydrochromen-7-ylidene)-(5-methyl-1-phenyl-pyrazol-4-yl)carbonyl-azanium Openeye Name: (2-hydroxy-4-methyl-5,6,8,8a-tetrahydrochromen-7-ylidene)-(5-methyl-1-phenyl-pyrazole-4-carbonyl)ammonium CAS Name: (2-hydroxy-4-methyl-5,6,8,8a-tetrahydro-1-benzopyran-7-ylidene)-[(5-methyl-1-phenyl-4-pyrazolyl)-oxomethyl]ammonium IUPAC Name: (2-hydroxy-4-methyl-5,6,8,8a-tetrahydrochromen-7-ylidene)-(5-methyl-1-phenylpyrazole-4-carbonyl)azanium Traditional Name: (2-hydroxy-4-methyl-5,6,8,8a-tetrahydrochromen-7-ylidene)-(5-methyl-1-phenyl-pyrazole-4-carbonyl)ammonium Formula: C21H22N3O3+ MolecularWeight: 364.41768

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2CCC(=[NH+]C(=O)C3=C(N(N=C3)C4=CC=CC=C4)C)CC2OC(=C1)O

Isomeric SMILES

CC1=C2CCC(=[NH+]C(=O)C3=C(N(N=C3)C4=CC=CC=C4)C)CC2OC(=C1)O

InChI

InChI=1S/C21H21N3O3/c1-13-10-20(25)27-19-11-15(8-9-17(13)19)23-21(26)18-12-22-24(14(18)2)16-6-4-3-5-7-16/h3-7,10,12,19,25H,8-9,11H2,1-2H3/p+1