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

Systemtic Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-(2-chloranylquinolin-4-yl)methanone Openeye Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-(2-chloro-4-quinolyl)methanone CAS Name: [4-(1,3-benzodioxol-5-ylmethyl)-1-piperazin-4-iumyl]-(2-chloro-4-quinolinyl)methanone IUPAC Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-(2-chloroquinolin-4-yl)methanone Traditional Name: (2-chloro-4-quinolyl)-(4-piperonylpiperazin-4-ium-1-yl)methanone Formula: C22H21ClN3O3+ MolecularWeight: 410.87344

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC3=C(C=C2)OCO3)C(=O)C4=CC(=NC5=CC=CC=C54)Cl

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC3=C(C=C2)OCO3)C(=O)C4=CC(=NC5=CC=CC=C54)Cl

InChI

InChI=1S/C22H20ClN3O3/c23-21-12-17(16-3-1-2-4-18(16)24-21)22(27)26-9-7-25(8-10-26)13-15-5-6-19-20(11-15)29-14-28-19/h1-6,11-12H,7-10,13-14H2/p+1