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

Systemtic Name: 2-[(4-methylphenoxy)methyl]-N-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]-1,3-thiazole-4-carboxamide Openeye Name: 2-[(4-methylphenoxy)methyl]-N-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]thiazole-4-carboxamide CAS Name: 2-[(4-methylphenoxy)methyl]-N-[[4-(1-pyrrolidin-1-iumylmethyl)phenyl]methyl]-4-thiazolecarboxamide IUPAC Name: 2-[(4-methylphenoxy)methyl]-N-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]-1,3-thiazole-4-carboxamide Traditional Name: 2-[(4-methylphenoxy)methyl]-N-[4-(pyrrolidin-1-ium-1-ylmethyl)benzyl]thiazole-4-carboxamide Formula: C24H28N3O2S+ MolecularWeight: 422.56302

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)OCC2=NC(=CS2)C(=O)NCC3=CC=C(C=C3)C[NH+]4CCCC4

Isomeric SMILES

CC1=CC=C(C=C1)OCC2=NC(=CS2)C(=O)NCC3=CC=C(C=C3)C[NH+]4CCCC4

InChI

InChI=1S/C24H27N3O2S/c1-18-4-10-21(11-5-18)29-16-23-26-22(17-30-23)24(28)25-14-19-6-8-20(9-7-19)15-27-12-2-3-13-27/h4-11,17H,2-3,12-16H2,1H3,(H,25,28)/p+1