2,4-bis(chloranyl)-N-[(3S)-1-(phenylmethyl)piperidin-1-ium-3-yl]benzamide

Systemtic Name: 2,4-bis(chloranyl)-N-[(3S)-1-(phenylmethyl)piperidin-1-ium-3-yl]benzamide Openeye Name: N-[(3S)-1-benzylpiperidin-1-ium-3-yl]-2,4-dichloro-benzamide CAS Name: 2,4-dichloro-N-[(3S)-1-(phenylmethyl)-3-piperidin-1-iumyl]benzamide IUPAC Name: N-[(3S)-1-benzylpiperidin-1-ium-3-yl]-2,4-dichlorobenzamide Traditional Name: N-[(3S)-1-benzylpiperidin-1-ium-3-yl]-2,4-dichloro-benzamide Formula: C19H21Cl2N2O+ MolecularWeight: 364.28884

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)CC2=CC=CC=C2)NC(=O)C3=C(C=C(C=C3)Cl)Cl

Isomeric SMILES

C1C[C@@H](C[NH+](C1)CC2=CC=CC=C2)NC(=O)C3=C(C=C(C=C3)Cl)Cl

InChI

InChI=1S/C19H20Cl2N2O/c20-15-8-9-17(18(21)11-15)19(24)22-16-7-4-10-23(13-16)12-14-5-2-1-3-6-14/h1-3,5-6,8-9,11,16H,4,7,10,12-13H2,(H,22,24)/p+1/t16-/m0/s1