6-chloranyl-3-hexyl-4-methyl-8-[[(3S)-3-methylpiperidin-1-ium-1-yl]methyl]-2-oxidanylidene-chromen-7-olate

Systemtic Name: 6-chloranyl-3-hexyl-4-methyl-8-[[(3S)-3-methylpiperidin-1-ium-1-yl]methyl]-2-oxidanylidene-chromen-7-olate Openeye Name: 6-chloro-3-hexyl-4-methyl-8-[[(3S)-3-methylpiperidin-1-ium-1-yl]methyl]-2-oxo-chromen-7-olate CAS Name: 6-chloro-3-hexyl-4-methyl-8-[[(3S)-3-methyl-1-piperidin-1-iumyl]methyl]-2-oxo-1-benzopyran-7-olate IUPAC Name: 6-chloro-3-hexyl-4-methyl-8-[[(3S)-3-methylpiperidin-1-ium-1-yl]methyl]-2-oxochromen-7-olate Traditional Name: 6-chloro-3-hexyl-2-keto-4-methyl-8-[[(3S)-3-methylpiperidin-1-ium-1-yl]methyl]chromen-7-olate Formula: C23H32ClNO3 MolecularWeight: 405.95808

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=C(C2=CC(=C(C(=C2OC1=O)C[NH+]3CCCC(C3)C)[O-])Cl)C

Isomeric SMILES

CCCCCCC1=C(C2=CC(=C(C(=C2OC1=O)C[NH+]3CCC[C@@H](C3)C)[O-])Cl)C

InChI

InChI=1S/C23H32ClNO3/c1-4-5-6-7-10-17-16(3)18-12-20(24)21(26)19(22(18)28-23(17)27)14-25-11-8-9-15(2)13-25/h12,15,26H,4-11,13-14H2,1-3H3/t15-/m0/s1