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

Systemtic Name: (5-cyclopropyl-1-phenyl-pyrazol-4-yl)carbonyl-(4-methyl-2-oxidanyl-5,6,8,8a-tetrahydrochromen-7-ylidene)azanium Openeye Name: (5-cyclopropyl-1-phenyl-pyrazole-4-carbonyl)-(2-hydroxy-4-methyl-5,6,8,8a-tetrahydrochromen-7-ylidene)ammonium CAS Name: [(5-cyclopropyl-1-phenyl-4-pyrazolyl)-oxomethyl]-(2-hydroxy-4-methyl-5,6,8,8a-tetrahydro-1-benzopyran-7-ylidene)ammonium IUPAC Name: (5-cyclopropyl-1-phenylpyrazole-4-carbonyl)-(2-hydroxy-4-methyl-5,6,8,8a-tetrahydrochromen-7-ylidene)azanium Traditional Name: (5-cyclopropyl-1-phenyl-pyrazole-4-carbonyl)-(2-hydroxy-4-methyl-5,6,8,8a-tetrahydrochromen-7-ylidene)ammonium Formula: C23H24N3O3+ MolecularWeight: 390.45496

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2CCC(=[NH+]C(=O)C3=C(N(N=C3)C4=CC=CC=C4)C5CC5)CC2OC(=C1)O

Isomeric SMILES

CC1=C2CCC(=[NH+]C(=O)C3=C(N(N=C3)C4=CC=CC=C4)C5CC5)CC2OC(=C1)O

InChI

InChI=1S/C23H23N3O3/c1-14-11-21(27)29-20-12-16(9-10-18(14)20)25-23(28)19-13-24-26(22(19)15-7-8-15)17-5-3-2-4-6-17/h2-6,11,13,15,20,27H,7-10,12H2,1H3/p+1