6-chloranyl-4-[[(2S)-2-(3-methoxyphenyl)pyrrolidin-1-ium-1-yl]methyl]-7-methyl-chromen-2-one

Systemtic Name: 6-chloranyl-4-[[(2S)-2-(3-methoxyphenyl)pyrrolidin-1-ium-1-yl]methyl]-7-methyl-chromen-2-one Openeye Name: 6-chloro-4-[[(2S)-2-(3-methoxyphenyl)pyrrolidin-1-ium-1-yl]methyl]-7-methyl-chromen-2-one CAS Name: 6-chloro-4-[[(2S)-2-(3-methoxyphenyl)-1-pyrrolidin-1-iumyl]methyl]-7-methyl-1-benzopyran-2-one IUPAC Name: 6-chloro-4-[[(2S)-2-(3-methoxyphenyl)pyrrolidin-1-ium-1-yl]methyl]-7-methylchromen-2-one Traditional Name: 6-chloro-4-[[(2S)-2-(3-methoxyphenyl)pyrrolidin-1-ium-1-yl]methyl]-7-methyl-coumarin Formula: C22H23ClNO3+ MolecularWeight: 384.87592

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=CC(=O)OC2=C1)C[NH+]3CCCC3C4=CC(=CC=C4)OC)Cl

Isomeric SMILES

CC1=C(C=C2C(=CC(=O)OC2=C1)C[NH+]3CCC[C@H]3C4=CC(=CC=C4)OC)Cl

InChI

InChI=1S/C22H22ClNO3/c1-14-9-21-18(12-19(14)23)16(11-22(25)27-21)13-24-8-4-7-20(24)15-5-3-6-17(10-15)26-2/h3,5-6,9-12,20H,4,7-8,13H2,1-2H3/p+1/t20-/m0/s1