4-chloranyl-N-[3-[[(2S)-2-(furan-2-yl)-2-piperidin-1-ium-1-yl-ethyl]amino]-3-oxidanylidene-propyl]benzamide

Systemtic Name: 4-chloranyl-N-[3-[[(2S)-2-(furan-2-yl)-2-piperidin-1-ium-1-yl-ethyl]amino]-3-oxidanylidene-propyl]benzamide Openeye Name: 4-chloro-N-[3-[[(2S)-2-(2-furyl)-2-piperidin-1-ium-1-yl-ethyl]amino]-3-oxo-propyl]benzamide CAS Name: 4-chloro-N-[3-[[(2S)-2-(2-furanyl)-2-(1-piperidin-1-iumyl)ethyl]amino]-3-oxopropyl]benzamide IUPAC Name: 4-chloro-N-[3-[[(2S)-2-(furan-2-yl)-2-piperidin-1-ium-1-ylethyl]amino]-3-oxopropyl]benzamide Traditional Name: 4-chloro-N-[3-[[(2S)-2-(2-furyl)-2-piperidin-1-ium-1-yl-ethyl]amino]-3-keto-propyl]benzamide Formula: C21H27ClN3O3+ MolecularWeight: 404.91038

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)C(CNC(=O)CCNC(=O)C2=CC=C(C=C2)Cl)C3=CC=CO3

Isomeric SMILES

C1CC[NH+](CC1)[C@@H](CNC(=O)CCNC(=O)C2=CC=C(C=C2)Cl)C3=CC=CO3

InChI

InChI=1S/C21H26ClN3O3/c22-17-8-6-16(7-9-17)21(27)23-11-10-20(26)24-15-18(19-5-4-14-28-19)25-12-2-1-3-13-25/h4-9,14,18H,1-3,10-13,15H2,(H,23,27)(H,24,26)/p+1/t18-/m0/s1