2-(4-methoxyphenyl)-4-methyl-N-[(3S)-1-(phenylmethyl)pyrrolidin-1-ium-3-yl]-1,3-thiazole-5-carboxamide

Systemtic Name: 2-(4-methoxyphenyl)-4-methyl-N-[(3S)-1-(phenylmethyl)pyrrolidin-1-ium-3-yl]-1,3-thiazole-5-carboxamide Openeye Name: N-[(3S)-1-benzylpyrrolidin-1-ium-3-yl]-2-(4-methoxyphenyl)-4-methyl-thiazole-5-carboxamide CAS Name: 2-(4-methoxyphenyl)-4-methyl-N-[(3S)-1-(phenylmethyl)-3-pyrrolidin-1-iumyl]-5-thiazolecarboxamide IUPAC Name: N-[(3S)-1-benzylpyrrolidin-1-ium-3-yl]-2-(4-methoxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide Traditional Name: N-[(3S)-1-benzylpyrrolidin-1-ium-3-yl]-2-(4-methoxyphenyl)-4-methyl-thiazole-5-carboxamide Formula: C23H26N3O2S+ MolecularWeight: 408.53644

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=N1)C2=CC=C(C=C2)OC)C(=O)NC3CC[NH+](C3)CC4=CC=CC=C4

Isomeric SMILES

CC1=C(SC(=N1)C2=CC=C(C=C2)OC)C(=O)N[C@H]3CC[NH+](C3)CC4=CC=CC=C4

InChI

InChI=1S/C23H25N3O2S/c1-16-21(29-23(24-16)18-8-10-20(28-2)11-9-18)22(27)25-19-12-13-26(15-19)14-17-6-4-3-5-7-17/h3-11,19H,12-15H2,1-2H3,(H,25,27)/p+1/t19-/m0/s1