2-chloranyl-6-oxidanylidene-4-[(pyridin-4-ylmethylazaniumyl)methyl]-7,8,9,10-tetrahydrobenzo[c]chromen-3-olate

Systemtic Name: 2-chloranyl-6-oxidanylidene-4-[(pyridin-4-ylmethylazaniumyl)methyl]-7,8,9,10-tetrahydrobenzo[c]chromen-3-olate Openeye Name: 2-chloro-6-oxo-4-[(4-pyridylmethylammonio)methyl]-7,8,9,10-tetrahydrobenzo[c]chromen-3-olate CAS Name: 2-chloro-6-oxo-4-[(pyridin-4-ylmethylammonio)methyl]-7,8,9,10-tetrahydrobenzo[c][1]benzopyran-3-olate IUPAC Name: 2-chloro-6-oxo-4-[(pyridin-4-ylmethylazaniumyl)methyl]-7,8,9,10-tetrahydrobenzo[c]chromen-3-olate Traditional Name: 2-chloro-6-keto-4-[(4-pyridylmethylammonio)methyl]-7,8,9,10-tetrahydrobenzo[c]chromen-3-olate Formula: C20H19ClN2O3 MolecularWeight: 370.82946

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C3=CC(=C(C(=C3OC2=O)C[NH2+]CC4=CC=NC=C4)[O-])Cl

Isomeric SMILES

C1CCC2=C(C1)C3=CC(=C(C(=C3OC2=O)C[NH2+]CC4=CC=NC=C4)[O-])Cl

InChI

InChI=1S/C20H19ClN2O3/c21-17-9-15-13-3-1-2-4-14(13)20(25)26-19(15)16(18(17)24)11-23-10-12-5-7-22-8-6-12/h5-9,23-24H,1-4,10-11H2