2-(2,3-dimethoxyphenyl)-N-[(3S)-1-(phenylmethyl)pyrrolidin-1-ium-3-yl]-1,3-thiazole-4-carboxamide

Systemtic Name: 2-(2,3-dimethoxyphenyl)-N-[(3S)-1-(phenylmethyl)pyrrolidin-1-ium-3-yl]-1,3-thiazole-4-carboxamide Openeye Name: N-[(3S)-1-benzylpyrrolidin-1-ium-3-yl]-2-(2,3-dimethoxyphenyl)thiazole-4-carboxamide CAS Name: 2-(2,3-dimethoxyphenyl)-N-[(3S)-1-(phenylmethyl)-3-pyrrolidin-1-iumyl]-4-thiazolecarboxamide IUPAC Name: N-[(3S)-1-benzylpyrrolidin-1-ium-3-yl]-2-(2,3-dimethoxyphenyl)-1,3-thiazole-4-carboxamide Traditional Name: N-[(3S)-1-benzylpyrrolidin-1-ium-3-yl]-2-(2,3-dimethoxyphenyl)thiazole-4-carboxamide Formula: C23H26N3O3S+ MolecularWeight: 424.53584

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1OC)C2=NC(=CS2)C(=O)NC3CC[NH+](C3)CC4=CC=CC=C4

Isomeric SMILES

COC1=CC=CC(=C1OC)C2=NC(=CS2)C(=O)N[C@H]3CC[NH+](C3)CC4=CC=CC=C4

InChI

InChI=1S/C23H25N3O3S/c1-28-20-10-6-9-18(21(20)29-2)23-25-19(15-30-23)22(27)24-17-11-12-26(14-17)13-16-7-4-3-5-8-16/h3-10,15,17H,11-14H2,1-2H3,(H,24,27)/p+1/t17-/m0/s1