methyl 3-[2-[(2S)-2-(4-methoxyphenyl)pyrrolidin-1-ium-1-yl]ethanoylamino]-4-methyl-benzoate

Systemtic Name: methyl 3-[2-[(2S)-2-(4-methoxyphenyl)pyrrolidin-1-ium-1-yl]ethanoylamino]-4-methyl-benzoate Openeye Name: methyl 3-[[2-[(2S)-2-(4-methoxyphenyl)pyrrolidin-1-ium-1-yl]acetyl]amino]-4-methyl-benzoate CAS Name: 3-[[2-[(2S)-2-(4-methoxyphenyl)-1-pyrrolidin-1-iumyl]-1-oxoethyl]amino]-4-methylbenzoic acid methyl ester IUPAC Name: methyl 3-[[2-[(2S)-2-(4-methoxyphenyl)pyrrolidin-1-ium-1-yl]acetyl]amino]-4-methylbenzoate Traditional Name: 3-[[2-[(2S)-2-(4-methoxyphenyl)pyrrolidin-1-ium-1-yl]acetyl]amino]-4-methyl-benzoic acid methyl ester Formula: C22H27N2O4+ MolecularWeight: 383.46078

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OC)NC(=O)C[NH+]2CCCC2C3=CC=C(C=C3)OC

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OC)NC(=O)C[NH+]2CCC[C@H]2C3=CC=C(C=C3)OC

InChI

InChI=1S/C22H26N2O4/c1-15-6-7-17(22(26)28-3)13-19(15)23-21(25)14-24-12-4-5-20(24)16-8-10-18(27-2)11-9-16/h6-11,13,20H,4-5,12,14H2,1-3H3,(H,23,25)/p+1/t20-/m0/s1