4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-7-chloranyl-quinolin-1-ium

Systemtic Name: 4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-7-chloranyl-quinolin-1-ium Openeye Name: 4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-7-chloro-quinolin-1-ium CAS Name: 4-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazin-4-iumyl]-7-chloroquinolin-1-ium IUPAC Name: 4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-7-chloroquinolin-1-ium Traditional Name: 7-chloro-4-(4-piperonylpiperazin-4-ium-1-yl)quinolin-1-ium Formula: C21H22ClN3O2+2 MolecularWeight: 383.87128

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC3=C(C=C2)OCO3)C4=C5C=CC(=CC5=[NH+]C=C4)Cl

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC3=C(C=C2)OCO3)C4=C5C=CC(=CC5=[NH+]C=C4)Cl

InChI

InChI=1S/C21H20ClN3O2/c22-16-2-3-17-18(12-16)23-6-5-19(17)25-9-7-24(8-10-25)13-15-1-4-20-21(11-15)27-14-26-20/h1-6,11-12H,7-10,13-14H2/p+2