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

Systemtic Name: 2-(4-methoxyphenyl)-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-(4-methoxyphenyl)thiazole-4-carboxamide CAS Name: 2-(4-methoxyphenyl)-N-[(3S)-1-(phenylmethyl)-3-pyrrolidin-1-iumyl]-4-thiazolecarboxamide IUPAC Name: N-[(3S)-1-benzylpyrrolidin-1-ium-3-yl]-2-(4-methoxyphenyl)-1,3-thiazole-4-carboxamide Traditional Name: N-[(3S)-1-benzylpyrrolidin-1-ium-3-yl]-2-(4-methoxyphenyl)thiazole-4-carboxamide Formula: C22H24N3O2S+ MolecularWeight: 394.50986

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H23N3O2S/c1-27-19-9-7-17(8-10-19)22-24-20(15-28-22)21(26)23-18-11-12-25(14-18)13-16-5-3-2-4-6-16/h2-10,15,18H,11-14H2,1H3,(H,23,26)/p+1/t18-/m0/s1