[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-(2-chloranyl-5-nitro-phenyl)methanone

Systemtic Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-(2-chloranyl-5-nitro-phenyl)methanone Openeye Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-(2-chloro-5-nitro-phenyl)methanone CAS Name: [4-(1,3-benzodioxol-5-ylmethyl)-1-piperazin-4-iumyl]-(2-chloro-5-nitrophenyl)methanone IUPAC Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-(2-chloro-5-nitrophenyl)methanone Traditional Name: (2-chloro-5-nitro-phenyl)-(4-piperonylpiperazin-4-ium-1-yl)methanone Formula: C19H19ClN3O5+ MolecularWeight: 404.82426

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H18ClN3O5/c20-16-3-2-14(23(25)26)10-15(16)19(24)22-7-5-21(6-8-22)11-13-1-4-17-18(9-13)28-12-27-17/h1-4,9-10H,5-8,11-12H2/p+1