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

Systemtic Name: 2-methyl-4-phenyl-N-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]-1,3-thiazole-5-carboxamide Openeye Name: 2-methyl-4-phenyl-N-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]thiazole-5-carboxamide CAS Name: 2-methyl-4-phenyl-N-[[4-(1-pyrrolidin-1-iumylmethyl)phenyl]methyl]-5-thiazolecarboxamide IUPAC Name: 2-methyl-4-phenyl-N-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]-1,3-thiazole-5-carboxamide Traditional Name: 2-methyl-4-phenyl-N-[4-(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=C(C=C2)C[NH+]3CCCC3)C4=CC=CC=C4

Isomeric SMILES

CC1=NC(=C(S1)C(=O)NCC2=CC=C(C=C2)C[NH+]3CCCC3)C4=CC=CC=C4

InChI

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