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

Systemtic Name: 2-chloranyl-6-oxidanylidene-4-(pyrrolidin-1-ium-1-ylmethyl)-7,8,9,10-tetrahydrobenzo[c]chromen-3-olate Openeye Name: 2-chloro-6-oxo-4-(pyrrolidin-1-ium-1-ylmethyl)-7,8,9,10-tetrahydrobenzo[c]chromen-3-olate CAS Name: 2-chloro-6-oxo-4-(1-pyrrolidin-1-iumylmethyl)-7,8,9,10-tetrahydrobenzo[c][1]benzopyran-3-olate IUPAC Name: 2-chloro-6-oxo-4-(pyrrolidin-1-ium-1-ylmethyl)-7,8,9,10-tetrahydrobenzo[c]chromen-3-olate Traditional Name: 2-chloro-6-keto-4-(pyrrolidin-1-ium-1-ylmethyl)-7,8,9,10-tetrahydrobenzo[c]chromen-3-olate Formula: C18H20ClNO3 MolecularWeight: 333.8093

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C3=CC(=C(C(=C3OC2=O)C[NH+]4CCCC4)[O-])Cl

Isomeric SMILES

C1CCC2=C(C1)C3=CC(=C(C(=C3OC2=O)C[NH+]4CCCC4)[O-])Cl

InChI

InChI=1S/C18H20ClNO3/c19-15-9-13-11-5-1-2-6-12(11)18(22)23-17(13)14(16(15)21)10-20-7-3-4-8-20/h9,21H,1-8,10H2