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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=NC(=CS2)C(=O)NC3CC[NH+](C3)CC4=CC=CC=C4)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=NC(=CS2)C(=O)N[C@H]3CC[NH+](C3)CC4=CC=CC=C4)OC

InChI

InChI=1S/C23H25N3O3S/c1-28-20-9-8-17(12-21(20)29-2)23-25-19(15-30-23)22(27)24-18-10-11-26(14-18)13-16-6-4-3-5-7-16/h3-9,12,15,18H,10-11,13-14H2,1-2H3,(H,24,27)/p+1/t18-/m0/s1