4-[[(2R)-2-(4-methoxyphenyl)pyrrolidin-1-ium-1-yl]methyl]-6,7-dimethyl-chromen-2-one

Systemtic Name: 4-[[(2R)-2-(4-methoxyphenyl)pyrrolidin-1-ium-1-yl]methyl]-6,7-dimethyl-chromen-2-one Openeye Name: 4-[[(2R)-2-(4-methoxyphenyl)pyrrolidin-1-ium-1-yl]methyl]-6,7-dimethyl-chromen-2-one CAS Name: 4-[[(2R)-2-(4-methoxyphenyl)-1-pyrrolidin-1-iumyl]methyl]-6,7-dimethyl-1-benzopyran-2-one IUPAC Name: 4-[[(2R)-2-(4-methoxyphenyl)pyrrolidin-1-ium-1-yl]methyl]-6,7-dimethylchromen-2-one Traditional Name: 4-[[(2R)-2-(4-methoxyphenyl)pyrrolidin-1-ium-1-yl]methyl]-6,7-dimethyl-coumarin Formula: C23H26NO3+ MolecularWeight: 364.45744

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=C1)C(=CC(=O)O2)C[NH+]3CCCC3C4=CC=C(C=C4)OC)C

Isomeric SMILES

CC1=C(C=C2C(=C1)C(=CC(=O)O2)C[NH+]3CCC[C@@H]3C4=CC=C(C=C4)OC)C

InChI

InChI=1S/C23H25NO3/c1-15-11-20-18(13-23(25)27-22(20)12-16(15)2)14-24-10-4-5-21(24)17-6-8-19(26-3)9-7-17/h6-9,11-13,21H,4-5,10,14H2,1-3H3/p+1/t21-/m1/s1