4-[[(2S)-2-(3-methoxyphenyl)pyrrolidin-1-ium-1-yl]methyl]-7,8-dimethyl-chromen-2-one

Systemtic Name: 4-[[(2S)-2-(3-methoxyphenyl)pyrrolidin-1-ium-1-yl]methyl]-7,8-dimethyl-chromen-2-one Openeye Name: 4-[[(2S)-2-(3-methoxyphenyl)pyrrolidin-1-ium-1-yl]methyl]-7,8-dimethyl-chromen-2-one CAS Name: 4-[[(2S)-2-(3-methoxyphenyl)-1-pyrrolidin-1-iumyl]methyl]-7,8-dimethyl-1-benzopyran-2-one IUPAC Name: 4-[[(2S)-2-(3-methoxyphenyl)pyrrolidin-1-ium-1-yl]methyl]-7,8-dimethylchromen-2-one Traditional Name: 4-[[(2S)-2-(3-methoxyphenyl)pyrrolidin-1-ium-1-yl]methyl]-7,8-dimethyl-coumarin Formula: C23H26NO3+ MolecularWeight: 364.45744

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)C(=CC(=O)O2)C[NH+]3CCCC3C4=CC(=CC=C4)OC)C

Isomeric SMILES

CC1=C(C2=C(C=C1)C(=CC(=O)O2)C[NH+]3CCC[C@H]3C4=CC(=CC=C4)OC)C

InChI

InChI=1S/C23H25NO3/c1-15-9-10-20-18(13-22(25)27-23(20)16(15)2)14-24-11-5-8-21(24)17-6-4-7-19(12-17)26-3/h4,6-7,9-10,12-13,21H,5,8,11,14H2,1-3H3/p+1/t21-/m0/s1