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

Systemtic Name: 6-chloranyl-3-hexyl-4-methyl-8-[[(3S)-3-methylpiperidin-1-ium-1-yl]methyl]-7-oxidanyl-chromen-2-one Openeye Name: 6-chloro-3-hexyl-7-hydroxy-4-methyl-8-[[(3S)-3-methylpiperidin-1-ium-1-yl]methyl]chromen-2-one CAS Name: 6-chloro-3-hexyl-7-hydroxy-4-methyl-8-[[(3S)-3-methyl-1-piperidin-1-iumyl]methyl]-1-benzopyran-2-one IUPAC Name: 6-chloro-3-hexyl-7-hydroxy-4-methyl-8-[[(3S)-3-methylpiperidin-1-ium-1-yl]methyl]chromen-2-one Traditional Name: 6-chloro-3-hexyl-7-hydroxy-4-methyl-8-[[(3S)-3-methylpiperidin-1-ium-1-yl]methyl]coumarin Formula: C23H33ClNO3+ MolecularWeight: 406.96602

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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/p+1/t15-/m0/s1