[4-methyl-7-oxidanyl-2-oxidanylidene-3-(phenylmethyl)chromen-8-yl]methyl-[3-(2-oxidanylidenepyrrolidin-1-yl)propyl]azanium

Systemtic Name: [4-methyl-7-oxidanyl-2-oxidanylidene-3-(phenylmethyl)chromen-8-yl]methyl-[3-(2-oxidanylidenepyrrolidin-1-yl)propyl]azanium Openeye Name: (3-benzyl-7-hydroxy-4-methyl-2-oxo-chromen-8-yl)methyl-[3-(2-oxopyrrolidin-1-yl)propyl]ammonium CAS Name: [7-hydroxy-4-methyl-2-oxo-3-(phenylmethyl)-1-benzopyran-8-yl]methyl-[3-(2-oxo-1-pyrrolidinyl)propyl]ammonium IUPAC Name: (3-benzyl-7-hydroxy-4-methyl-2-oxochromen-8-yl)methyl-[3-(2-oxopyrrolidin-1-yl)propyl]azanium Traditional Name: (3-benzyl-7-hydroxy-2-keto-4-methyl-chromen-8-yl)methyl-[3-(2-ketopyrrolidino)propyl]ammonium Formula: C25H29N2O4+ MolecularWeight: 421.50876

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)OC2=C1C=CC(=C2C[NH2+]CCCN3CCCC3=O)O)CC4=CC=CC=C4

Isomeric SMILES

CC1=C(C(=O)OC2=C1C=CC(=C2C[NH2+]CCCN3CCCC3=O)O)CC4=CC=CC=C4

InChI

InChI=1S/C25H28N2O4/c1-17-19-10-11-22(28)21(16-26-12-6-14-27-13-5-9-23(27)29)24(19)31-25(30)20(17)15-18-7-3-2-4-8-18/h2-4,7-8,10-11,26,28H,5-6,9,12-16H2,1H3/p+1