1-[4-methoxy-3-[[(2S)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-ium-1-yl]methyl]phenyl]ethanone

Systemtic Name: 1-[4-methoxy-3-[[(2S)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-ium-1-yl]methyl]phenyl]ethanone Openeye Name: 1-[4-methoxy-3-[[(2S)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-ium-1-yl]methyl]phenyl]ethanone CAS Name: 1-[4-methoxy-3-[[(2S)-2-(1-methyl-2-pyrrolyl)-1-pyrrolidin-1-iumyl]methyl]phenyl]ethanone IUPAC Name: 1-[4-methoxy-3-[[(2S)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-ium-1-yl]methyl]phenyl]ethanone Traditional Name: 1-[4-methoxy-3-[[(2S)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-ium-1-yl]methyl]phenyl]ethanone Formula: C19H25N2O2+ MolecularWeight: 313.414

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=C(C=C1)OC)C[NH+]2CCCC2C3=CC=CN3C

Isomeric SMILES

CC(=O)C1=CC(=C(C=C1)OC)C[NH+]2CCC[C@H]2C3=CC=CN3C

InChI

InChI=1S/C19H24N2O2/c1-14(22)15-8-9-19(23-3)16(12-15)13-21-11-5-7-18(21)17-6-4-10-20(17)2/h4,6,8-10,12,18H,5,7,11,13H2,1-3H3/p+1/t18-/m0/s1