1-(1,3-benzodioxol-5-ylmethyl)-4-[3,5-bis(chloranyl)pyridin-2-yl]piperazin-1-ium

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-[3,5-bis(chloranyl)pyridin-2-yl]piperazin-1-ium Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-(3,5-dichloro-2-pyridyl)piperazin-1-ium CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-(3,5-dichloro-2-pyridinyl)piperazin-1-ium IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-(3,5-dichloropyridin-2-yl)piperazin-1-ium Traditional Name: 1-(3,5-dichloro-2-pyridyl)-4-piperonyl-piperazin-4-ium Formula: C17H18Cl2N3O2+ MolecularWeight: 367.24972

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC3=C(C=C2)OCO3)C4=C(C=C(C=N4)Cl)Cl

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC3=C(C=C2)OCO3)C4=C(C=C(C=N4)Cl)Cl

InChI

InChI=1S/C17H17Cl2N3O2/c18-13-8-14(19)17(20-9-13)22-5-3-21(4-6-22)10-12-1-2-15-16(7-12)24-11-23-15/h1-2,7-9H,3-6,10-11H2/p+1