3,4-dimethyl-7-oxidanyl-8-[[[4-(piperidin-1-ium-1-ylmethyl)phenyl]amino]methyl]chromen-2-one

Systemtic Name: 3,4-dimethyl-7-oxidanyl-8-[[[4-(piperidin-1-ium-1-ylmethyl)phenyl]amino]methyl]chromen-2-one Openeye Name: 7-hydroxy-3,4-dimethyl-8-[[4-(piperidin-1-ium-1-ylmethyl)anilino]methyl]chromen-2-one CAS Name: 7-hydroxy-3,4-dimethyl-8-[[4-(1-piperidin-1-iumylmethyl)anilino]methyl]-1-benzopyran-2-one IUPAC Name: 7-hydroxy-3,4-dimethyl-8-[[4-(piperidin-1-ium-1-ylmethyl)anilino]methyl]chromen-2-one Traditional Name: 7-hydroxy-3,4-dimethyl-8-[[4-(piperidin-1-ium-1-ylmethyl)anilino]methyl]coumarin Formula: C24H29N2O3+ MolecularWeight: 393.49866

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)OC2=C1C=CC(=C2CNC3=CC=C(C=C3)C[NH+]4CCCCC4)O)C

Isomeric SMILES

CC1=C(C(=O)OC2=C1C=CC(=C2CNC3=CC=C(C=C3)C[NH+]4CCCCC4)O)C

InChI

InChI=1S/C24H28N2O3/c1-16-17(2)24(28)29-23-20(16)10-11-22(27)21(23)14-25-19-8-6-18(7-9-19)15-26-12-4-3-5-13-26/h6-11,25,27H,3-5,12-15H2,1-2H3/p+1