4-(1,3-benzodioxol-5-ylmethyl)-N-[3,5-bis(chloranyl)phenyl]piperazin-4-ium-1-carboxamide

Systemtic Name: 4-(1,3-benzodioxol-5-ylmethyl)-N-[3,5-bis(chloranyl)phenyl]piperazin-4-ium-1-carboxamide Openeye Name: 4-(1,3-benzodioxol-5-ylmethyl)-N-(3,5-dichlorophenyl)piperazin-4-ium-1-carboxamide CAS Name: 4-(1,3-benzodioxol-5-ylmethyl)-N-(3,5-dichlorophenyl)-1-piperazin-4-iumcarboxamide IUPAC Name: 4-(1,3-benzodioxol-5-ylmethyl)-N-(3,5-dichlorophenyl)piperazin-4-ium-1-carboxamide Traditional Name: N-(3,5-dichlorophenyl)-4-piperonyl-piperazin-4-ium-1-carboxamide Formula: C19H20Cl2N3O3+ MolecularWeight: 409.2864

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC3=C(C=C2)OCO3)C(=O)NC4=CC(=CC(=C4)Cl)Cl

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC3=C(C=C2)OCO3)C(=O)NC4=CC(=CC(=C4)Cl)Cl

InChI

InChI=1S/C19H19Cl2N3O3/c20-14-8-15(21)10-16(9-14)22-19(25)24-5-3-23(4-6-24)11-13-1-2-17-18(7-13)27-12-26-17/h1-2,7-10H,3-6,11-12H2,(H,22,25)/p+1