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

Systemtic Name: N-[4-(azepan-1-ium-1-ylmethyl)-1,3-thiazol-2-yl]-3-phenyl-propanamide Openeye Name: N-[4-(azepan-1-ium-1-ylmethyl)thiazol-2-yl]-3-phenyl-propanamide CAS Name: N-[4-(1-azepan-1-iumylmethyl)-2-thiazolyl]-3-phenylpropanamide IUPAC Name: N-[4-(azepan-1-ium-1-ylmethyl)-1,3-thiazol-2-yl]-3-phenylpropanamide Traditional Name: N-[4-(azepan-1-ium-1-ylmethyl)thiazol-2-yl]-3-phenyl-propionamide Formula: C19H26N3OS+ MolecularWeight: 344.49424

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC[NH+](CC1)CC2=CSC(=N2)NC(=O)CCC3=CC=CC=C3

Isomeric SMILES

C1CCC[NH+](CC1)CC2=CSC(=N2)NC(=O)CCC3=CC=CC=C3

InChI

InChI=1S/C19H25N3OS/c23-18(11-10-16-8-4-3-5-9-16)21-19-20-17(15-24-19)14-22-12-6-1-2-7-13-22/h3-5,8-9,15H,1-2,6-7,10-14H2,(H,20,21,23)/p+1