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

Systemtic Name: 3-ethyl-4-methyl-7-oxidanyl-8-(piperidin-1-ium-1-ylmethyl)chromen-2-one Openeye Name: 3-ethyl-7-hydroxy-4-methyl-8-(piperidin-1-ium-1-ylmethyl)chromen-2-one CAS Name: 3-ethyl-7-hydroxy-4-methyl-8-(1-piperidin-1-iumylmethyl)-1-benzopyran-2-one IUPAC Name: 3-ethyl-7-hydroxy-4-methyl-8-(piperidin-1-ium-1-ylmethyl)chromen-2-one Traditional Name: 3-ethyl-7-hydroxy-4-methyl-8-(piperidin-1-ium-1-ylmethyl)coumarin Formula: C18H24NO3+ MolecularWeight: 302.38806

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C2=C(C(=C(C=C2)O)C[NH+]3CCCCC3)OC1=O)C

Isomeric SMILES

CCC1=C(C2=C(C(=C(C=C2)O)C[NH+]3CCCCC3)OC1=O)C

InChI

InChI=1S/C18H23NO3/c1-3-13-12(2)14-7-8-16(20)15(17(14)22-18(13)21)11-19-9-5-4-6-10-19/h7-8,20H,3-6,9-11H2,1-2H3/p+1