[3-(6-methoxy-1H-pyridin-2-ylidene)-6-oxidanylidene-cyclohexa-1,4-dien-1-yl]methyl-[(2R)-6-methyl-6-oxidanyl-heptan-2-yl]azanium

Systemtic Name: [3-(6-methoxy-1H-pyridin-2-ylidene)-6-oxidanylidene-cyclohexa-1,4-dien-1-yl]methyl-[(2R)-6-methyl-6-oxidanyl-heptan-2-yl]azanium Openeye Name: [(1R)-5-hydroxy-1,5-dimethyl-hexyl]-[[3-(6-methoxy-1H-pyridin-2-ylidene)-6-oxo-cyclohexa-1,4-dien-1-yl]methyl]ammonium CAS Name: [(2R)-6-hydroxy-6-methylheptan-2-yl]-[[3-(6-methoxy-1H-pyridin-2-ylidene)-6-oxo-1-cyclohexa-1,4-dienyl]methyl]ammonium IUPAC Name: [(2R)-6-hydroxy-6-methylheptan-2-yl]-[[3-(6-methoxy-1H-pyridin-2-ylidene)-6-oxocyclohexa-1,4-dien-1-yl]methyl]azanium Traditional Name: [(1R)-5-hydroxy-1,5-dimethyl-hexyl]-[[6-keto-3-(6-methoxy-1H-pyridin-2-ylidene)cyclohexa-1,4-dien-1-yl]methyl]ammonium Formula: C21H31N2O3+ MolecularWeight: 359.48244

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCCC(C)(C)O)[NH2+]CC1=CC(=C2C=CC=C(N2)OC)C=CC1=O

Isomeric SMILES

C[C@H](CCCC(C)(C)O)[NH2+]CC1=CC(=C2C=CC=C(N2)OC)C=CC1=O

InChI

InChI=1S/C21H30N2O3/c1-15(7-6-12-21(2,3)25)22-14-17-13-16(10-11-19(17)24)18-8-5-9-20(23-18)26-4/h5,8-11,13,15,22-23,25H,6-7,12,14H2,1-4H3/p+1/t15-/m1/s1