N-[3-(azepan-1-ium-1-yl)propyl]-3-phenyl-thiophene-2-carboxamide

Systemtic Name: N-[3-(azepan-1-ium-1-yl)propyl]-3-phenyl-thiophene-2-carboxamide Openeye Name: N-[3-(azepan-1-ium-1-yl)propyl]-3-phenyl-thiophene-2-carboxamide CAS Name: N-[3-(1-azepan-1-iumyl)propyl]-3-phenyl-2-thiophenecarboxamide IUPAC Name: N-[3-(azepan-1-ium-1-yl)propyl]-3-phenylthiophene-2-carboxamide Traditional Name: N-[3-(azepan-1-ium-1-yl)propyl]-3-phenyl-thiophene-2-carboxamide Formula: C20H27N2OS+ MolecularWeight: 343.50618

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC[NH+](CC1)CCCNC(=O)C2=C(C=CS2)C3=CC=CC=C3

Isomeric SMILES

C1CCC[NH+](CC1)CCCNC(=O)C2=C(C=CS2)C3=CC=CC=C3

InChI

InChI=1S/C20H26N2OS/c23-20(21-12-8-15-22-13-6-1-2-7-14-22)19-18(11-16-24-19)17-9-4-3-5-10-17/h3-5,9-11,16H,1-2,6-8,12-15H2,(H,21,23)/p+1