ethyl 2,4-dimethyl-5-[[(3S)-1-(phenylmethyl)pyrrolidin-1-ium-3-yl]carbamoyl]-1H-pyrrole-3-carboxylate

Systemtic Name: ethyl 2,4-dimethyl-5-[[(3S)-1-(phenylmethyl)pyrrolidin-1-ium-3-yl]carbamoyl]-1H-pyrrole-3-carboxylate Openeye Name: ethyl 5-[[(3S)-1-benzylpyrrolidin-1-ium-3-yl]carbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate CAS Name: 2,4-dimethyl-5-[oxo-[[(3S)-1-(phenylmethyl)-3-pyrrolidin-1-iumyl]amino]methyl]-1H-pyrrole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 5-[[(3S)-1-benzylpyrrolidin-1-ium-3-yl]carbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate Traditional Name: 5-[[(3S)-1-benzylpyrrolidin-1-ium-3-yl]carbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester Formula: C21H28N3O3+ MolecularWeight: 370.46532

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C1C)C(=O)NC2CC[NH+](C2)CC3=CC=CC=C3)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=C1C)C(=O)N[C@H]2CC[NH+](C2)CC3=CC=CC=C3)C

InChI

InChI=1S/C21H27N3O3/c1-4-27-21(26)18-14(2)19(22-15(18)3)20(25)23-17-10-11-24(13-17)12-16-8-6-5-7-9-16/h5-9,17,22H,4,10-13H2,1-3H3,(H,23,25)/p+1/t17-/m0/s1