N-[3-oxidanylidene-3-[[(2S)-2-pyrrolidin-1-ium-1-yl-2-thiophen-2-yl-ethyl]amino]propyl]benzamide

Systemtic Name: N-[3-oxidanylidene-3-[[(2S)-2-pyrrolidin-1-ium-1-yl-2-thiophen-2-yl-ethyl]amino]propyl]benzamide Openeye Name: N-[3-oxo-3-[[(2S)-2-pyrrolidin-1-ium-1-yl-2-(2-thienyl)ethyl]amino]propyl]benzamide CAS Name: N-[3-oxo-3-[[(2S)-2-(1-pyrrolidin-1-iumyl)-2-thiophen-2-ylethyl]amino]propyl]benzamide IUPAC Name: N-[3-oxo-3-[[(2S)-2-pyrrolidin-1-ium-1-yl-2-thiophen-2-ylethyl]amino]propyl]benzamide Traditional Name: N-[3-keto-3-[[(2S)-2-pyrrolidin-1-ium-1-yl-2-(2-thienyl)ethyl]amino]propyl]benzamide Formula: C20H26N3O2S+ MolecularWeight: 372.50434

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)C(CNC(=O)CCNC(=O)C2=CC=CC=C2)C3=CC=CS3

Isomeric SMILES

C1CC[NH+](C1)[C@@H](CNC(=O)CCNC(=O)C2=CC=CC=C2)C3=CC=CS3

InChI

InChI=1S/C20H25N3O2S/c24-19(10-11-21-20(25)16-7-2-1-3-8-16)22-15-17(18-9-6-14-26-18)23-12-4-5-13-23/h1-3,6-9,14,17H,4-5,10-13,15H2,(H,21,25)(H,22,24)/p+1/t17-/m0/s1