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

Systemtic Name: 4-(4-methoxyphenyl)-8-methyl-6-[[(3S)-3-methylpiperidin-1-ium-1-yl]methyl]-7-oxidanyl-chromen-2-one Openeye Name: 7-hydroxy-4-(4-methoxyphenyl)-8-methyl-6-[[(3S)-3-methylpiperidin-1-ium-1-yl]methyl]chromen-2-one CAS Name: 7-hydroxy-4-(4-methoxyphenyl)-8-methyl-6-[[(3S)-3-methyl-1-piperidin-1-iumyl]methyl]-1-benzopyran-2-one IUPAC Name: 7-hydroxy-4-(4-methoxyphenyl)-8-methyl-6-[[(3S)-3-methylpiperidin-1-ium-1-yl]methyl]chromen-2-one Traditional Name: 7-hydroxy-4-(4-methoxyphenyl)-8-methyl-6-[[(3S)-3-methylpiperidin-1-ium-1-yl]methyl]coumarin Formula: C24H28NO4+ MolecularWeight: 394.48342

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC[NH+](C1)CC2=C(C(=C3C(=C2)C(=CC(=O)O3)C4=CC=C(C=C4)OC)C)O

Isomeric SMILES

C[C@H]1CCC[NH+](C1)CC2=C(C(=C3C(=C2)C(=CC(=O)O3)C4=CC=C(C=C4)OC)C)O

InChI

InChI=1S/C24H27NO4/c1-15-5-4-10-25(13-15)14-18-11-21-20(17-6-8-19(28-3)9-7-17)12-22(26)29-24(21)16(2)23(18)27/h6-9,11-12,15,27H,4-5,10,13-14H2,1-3H3/p+1/t15-/m0/s1