6-chloranyl-2-oxidanylidene-8-(piperidin-1-ium-1-ylmethyl)-4-propyl-chromen-7-olate

Systemtic Name: 6-chloranyl-2-oxidanylidene-8-(piperidin-1-ium-1-ylmethyl)-4-propyl-chromen-7-olate Openeye Name: 6-chloro-2-oxo-8-(piperidin-1-ium-1-ylmethyl)-4-propyl-chromen-7-olate CAS Name: 6-chloro-2-oxo-8-(1-piperidin-1-iumylmethyl)-4-propyl-1-benzopyran-7-olate IUPAC Name: 6-chloro-2-oxo-8-(piperidin-1-ium-1-ylmethyl)-4-propylchromen-7-olate Traditional Name: 6-chloro-2-keto-8-(piperidin-1-ium-1-ylmethyl)-4-propyl-chromen-7-olate Formula: C18H22ClNO3 MolecularWeight: 335.82518

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=O)OC2=C(C(=C(C=C12)Cl)[O-])C[NH+]3CCCCC3

Isomeric SMILES

CCCC1=CC(=O)OC2=C(C(=C(C=C12)Cl)[O-])C[NH+]3CCCCC3

InChI

InChI=1S/C18H22ClNO3/c1-2-6-12-9-16(21)23-18-13(12)10-15(19)17(22)14(18)11-20-7-4-3-5-8-20/h9-10,22H,2-8,11H2,1H3