2-chloranyl-6-oxidanylidene-4-[(pyridin-1-ium-2-ylamino)methyl]-7,8,9,10-tetrahydrobenzo[c]chromen-3-olate

Systemtic Name: 2-chloranyl-6-oxidanylidene-4-[(pyridin-1-ium-2-ylamino)methyl]-7,8,9,10-tetrahydrobenzo[c]chromen-3-olate Openeye Name: 2-chloro-6-oxo-4-[(pyridin-1-ium-2-ylamino)methyl]-7,8,9,10-tetrahydrobenzo[c]chromen-3-olate CAS Name: 2-chloro-6-oxo-4-[(2-pyridin-1-iumylamino)methyl]-7,8,9,10-tetrahydrobenzo[c][1]benzopyran-3-olate IUPAC Name: 2-chloro-6-oxo-4-[(pyridin-1-ium-2-ylamino)methyl]-7,8,9,10-tetrahydrobenzo[c]chromen-3-olate Traditional Name: 2-chloro-6-keto-4-[(pyridin-1-ium-2-ylamino)methyl]-7,8,9,10-tetrahydrobenzo[c]chromen-3-olate Formula: C19H17ClN2O3 MolecularWeight: 356.80288

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C3=CC(=C(C(=C3OC2=O)CNC4=CC=CC=[NH+]4)[O-])Cl

Isomeric SMILES

C1CCC2=C(C1)C3=CC(=C(C(=C3OC2=O)CNC4=CC=CC=[NH+]4)[O-])Cl

InChI

InChI=1S/C19H17ClN2O3/c20-15-9-13-11-5-1-2-6-12(11)19(24)25-18(13)14(17(15)23)10-22-16-7-3-4-8-21-16/h3-4,7-9,23H,1-2,5-6,10H2,(H,21,22)