(2S)-3-(5-ethanoyl-2-methoxy-phenyl)-1-(4-methylphenyl)-2-pyrrolidin-1-ium-1-yl-propan-1-one

Systemtic Name: (2S)-3-(5-ethanoyl-2-methoxy-phenyl)-1-(4-methylphenyl)-2-pyrrolidin-1-ium-1-yl-propan-1-one Openeye Name: (2S)-3-(5-acetyl-2-methoxy-phenyl)-1-(p-tolyl)-2-pyrrolidin-1-ium-1-yl-propan-1-one CAS Name: (2S)-3-(5-acetyl-2-methoxyphenyl)-1-(4-methylphenyl)-2-(1-pyrrolidin-1-iumyl)-1-propanone IUPAC Name: (2S)-3-(5-acetyl-2-methoxyphenyl)-1-(4-methylphenyl)-2-pyrrolidin-1-ium-1-ylpropan-1-one Traditional Name: (2S)-3-(5-acetyl-2-methoxy-phenyl)-1-(p-tolyl)-2-pyrrolidin-1-ium-1-yl-propan-1-one Formula: C23H28NO3+ MolecularWeight: 366.47332

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)C(CC2=C(C=CC(=C2)C(=O)C)OC)[NH+]3CCCC3

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)[C@H](CC2=C(C=CC(=C2)C(=O)C)OC)[NH+]3CCCC3

InChI

InChI=1S/C23H27NO3/c1-16-6-8-18(9-7-16)23(26)21(24-12-4-5-13-24)15-20-14-19(17(2)25)10-11-22(20)27-3/h6-11,14,21H,4-5,12-13,15H2,1-3H3/p+1/t21-/m0/s1