methyl 4-[4-[[(2S)-2-aminocarbonylpyrrolidin-1-ium-1-yl]methyl]-5-methyl-1,3-oxazol-2-yl]benzoate

Systemtic Name: methyl 4-[4-[[(2S)-2-aminocarbonylpyrrolidin-1-ium-1-yl]methyl]-5-methyl-1,3-oxazol-2-yl]benzoate Openeye Name: methyl 4-[4-[[(2S)-2-carbamoylpyrrolidin-1-ium-1-yl]methyl]-5-methyl-oxazol-2-yl]benzoate CAS Name: 4-[4-[[(2S)-2-carbamoyl-1-pyrrolidin-1-iumyl]methyl]-5-methyl-2-oxazolyl]benzoic acid methyl ester IUPAC Name: methyl 4-[4-[[(2S)-2-carbamoylpyrrolidin-1-ium-1-yl]methyl]-5-methyl-1,3-oxazol-2-yl]benzoate Traditional Name: 4-[4-[[(2S)-2-carbamoylpyrrolidin-1-ium-1-yl]methyl]-5-methyl-oxazol-2-yl]benzoic acid methyl ester Formula: C18H22N3O4+ MolecularWeight: 344.38498

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C(O1)C2=CC=C(C=C2)C(=O)OC)C[NH+]3CCCC3C(=O)N

Isomeric SMILES

CC1=C(N=C(O1)C2=CC=C(C=C2)C(=O)OC)C[NH+]3CCC[C@H]3C(=O)N

InChI

InChI=1S/C18H21N3O4/c1-11-14(10-21-9-3-4-15(21)16(19)22)20-17(25-11)12-5-7-13(8-6-12)18(23)24-2/h5-8,15H,3-4,9-10H2,1-2H3,(H2,19,22)/p+1/t15-/m0/s1