4-methyl-2-oxidanylidene-3-(phenylmethyl)-8-(piperidin-1-ium-1-ylmethyl)chromen-7-olate

Systemtic Name: 4-methyl-2-oxidanylidene-3-(phenylmethyl)-8-(piperidin-1-ium-1-ylmethyl)chromen-7-olate Openeye Name: 3-benzyl-4-methyl-2-oxo-8-(piperidin-1-ium-1-ylmethyl)chromen-7-olate CAS Name: 4-methyl-2-oxo-3-(phenylmethyl)-8-(1-piperidin-1-iumylmethyl)-1-benzopyran-7-olate IUPAC Name: 3-benzyl-4-methyl-2-oxo-8-(piperidin-1-ium-1-ylmethyl)chromen-7-olate Traditional Name: 3-benzyl-2-keto-4-methyl-8-(piperidin-1-ium-1-ylmethyl)chromen-7-olate Formula: C23H25NO3 MolecularWeight: 363.4495

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)OC2=C1C=CC(=C2C[NH+]3CCCCC3)[O-])CC4=CC=CC=C4

Isomeric SMILES

CC1=C(C(=O)OC2=C1C=CC(=C2C[NH+]3CCCCC3)[O-])CC4=CC=CC=C4

InChI

InChI=1S/C23H25NO3/c1-16-18-10-11-21(25)20(15-24-12-6-3-7-13-24)22(18)27-23(26)19(16)14-17-8-4-2-5-9-17/h2,4-5,8-11,25H,3,6-7,12-15H2,1H3