2-(4-methoxyphenyl)-N-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]-1,3-thiazole-4-carboxamide

Systemtic Name: 2-(4-methoxyphenyl)-N-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]-1,3-thiazole-4-carboxamide Openeye Name: 2-(4-methoxyphenyl)-N-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]thiazole-4-carboxamide CAS Name: 2-(4-methoxyphenyl)-N-[[4-(1-pyrrolidin-1-iumylmethyl)phenyl]methyl]-4-thiazolecarboxamide IUPAC Name: 2-(4-methoxyphenyl)-N-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]-1,3-thiazole-4-carboxamide Traditional Name: 2-(4-methoxyphenyl)-N-[4-(pyrrolidin-1-ium-1-ylmethyl)benzyl]thiazole-4-carboxamide Formula: C23H26N3O2S+ MolecularWeight: 408.53644

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NC(=CS2)C(=O)NCC3=CC=C(C=C3)C[NH+]4CCCC4

Isomeric SMILES

COC1=CC=C(C=C1)C2=NC(=CS2)C(=O)NCC3=CC=C(C=C3)C[NH+]4CCCC4

InChI

InChI=1S/C23H25N3O2S/c1-28-20-10-8-19(9-11-20)23-25-21(16-29-23)22(27)24-14-17-4-6-18(7-5-17)15-26-12-2-3-13-26/h4-11,16H,2-3,12-15H2,1H3,(H,24,27)/p+1