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

Systemtic Name: 2-methyl-N-[[2-(morpholin-4-ium-4-ylmethyl)phenyl]methyl]-4-phenyl-1,3-thiazole-5-carboxamide Openeye Name: 2-methyl-N-[[2-(morpholin-4-ium-4-ylmethyl)phenyl]methyl]-4-phenyl-thiazole-5-carboxamide CAS Name: 2-methyl-N-[[2-(4-morpholin-4-iumylmethyl)phenyl]methyl]-4-phenyl-5-thiazolecarboxamide IUPAC Name: 2-methyl-N-[[2-(morpholin-4-ium-4-ylmethyl)phenyl]methyl]-4-phenyl-1,3-thiazole-5-carboxamide Traditional Name: 2-methyl-N-[2-(morpholin-4-ium-4-ylmethyl)benzyl]-4-phenyl-thiazole-5-carboxamide Formula: C23H26N3O2S+ MolecularWeight: 408.53644

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C(S1)C(=O)NCC2=CC=CC=C2C[NH+]3CCOCC3)C4=CC=CC=C4

Isomeric SMILES

CC1=NC(=C(S1)C(=O)NCC2=CC=CC=C2C[NH+]3CCOCC3)C4=CC=CC=C4

InChI

InChI=1S/C23H25N3O2S/c1-17-25-21(18-7-3-2-4-8-18)22(29-17)23(27)24-15-19-9-5-6-10-20(19)16-26-11-13-28-14-12-26/h2-10H,11-16H2,1H3,(H,24,27)/p+1