4-phenyl-N-[4-(pyrrolidin-1-ium-1-ylmethyl)-1,3-thiazol-2-yl]benzamide

Systemtic Name: 4-phenyl-N-[4-(pyrrolidin-1-ium-1-ylmethyl)-1,3-thiazol-2-yl]benzamide Openeye Name: 4-phenyl-N-[4-(pyrrolidin-1-ium-1-ylmethyl)thiazol-2-yl]benzamide CAS Name: 4-phenyl-N-[4-(1-pyrrolidin-1-iumylmethyl)-2-thiazolyl]benzamide IUPAC Name: 4-phenyl-N-[4-(pyrrolidin-1-ium-1-ylmethyl)-1,3-thiazol-2-yl]benzamide Traditional Name: 4-phenyl-N-[4-(pyrrolidin-1-ium-1-ylmethyl)thiazol-2-yl]benzamide Formula: C21H22N3OS+ MolecularWeight: 364.48388

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)CC2=CSC(=N2)NC(=O)C3=CC=C(C=C3)C4=CC=CC=C4

Isomeric SMILES

C1CC[NH+](C1)CC2=CSC(=N2)NC(=O)C3=CC=C(C=C3)C4=CC=CC=C4

InChI

InChI=1S/C21H21N3OS/c25-20(18-10-8-17(9-11-18)16-6-2-1-3-7-16)23-21-22-19(15-26-21)14-24-12-4-5-13-24/h1-3,6-11,15H,4-5,12-14H2,(H,22,23,25)/p+1