8-methyl-7-oxidanyl-4-(piperidin-1-ium-1-ylmethyl)chromen-2-one

Systemtic Name: 8-methyl-7-oxidanyl-4-(piperidin-1-ium-1-ylmethyl)chromen-2-one Openeye Name: 7-hydroxy-8-methyl-4-(piperidin-1-ium-1-ylmethyl)chromen-2-one CAS Name: 7-hydroxy-8-methyl-4-(1-piperidin-1-iumylmethyl)-1-benzopyran-2-one IUPAC Name: 7-hydroxy-8-methyl-4-(piperidin-1-ium-1-ylmethyl)chromen-2-one Traditional Name: 7-hydroxy-8-methyl-4-(piperidin-1-ium-1-ylmethyl)coumarin Formula: C16H20NO3+ MolecularWeight: 274.3349

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC2=C1OC(=O)C=C2C[NH+]3CCCCC3)O

Isomeric SMILES

CC1=C(C=CC2=C1OC(=O)C=C2C[NH+]3CCCCC3)O

InChI

InChI=1S/C16H19NO3/c1-11-14(18)6-5-13-12(9-15(19)20-16(11)13)10-17-7-3-2-4-8-17/h5-6,9,18H,2-4,7-8,10H2,1H3/p+1