2-methyl-4-phenyl-N-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]-1,3-thiazole-5-carboxamide

Systemtic Name: 2-methyl-4-phenyl-N-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]-1,3-thiazole-5-carboxamide Openeye Name: 2-methyl-4-phenyl-N-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]thiazole-5-carboxamide CAS Name: 2-methyl-4-phenyl-N-[[2-(1-pyrrolidin-1-iumylmethyl)phenyl]methyl]-5-thiazolecarboxamide IUPAC Name: 2-methyl-4-phenyl-N-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]-1,3-thiazole-5-carboxamide Traditional Name: 2-methyl-4-phenyl-N-[2-(pyrrolidin-1-ium-1-ylmethyl)benzyl]thiazole-5-carboxamide Formula: C23H26N3OS+ MolecularWeight: 392.53704

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C(S1)C(=O)NCC2=CC=CC=C2C[NH+]3CCCC3)C4=CC=CC=C4

Isomeric SMILES

CC1=NC(=C(S1)C(=O)NCC2=CC=CC=C2C[NH+]3CCCC3)C4=CC=CC=C4

InChI

InChI=1S/C23H25N3OS/c1-17-25-21(18-9-3-2-4-10-18)22(28-17)23(27)24-15-19-11-5-6-12-20(19)16-26-13-7-8-14-26/h2-6,9-12H,7-8,13-16H2,1H3,(H,24,27)/p+1