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

Systemtic Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-(5-chloranyl-2-oxidanyl-phenyl)methanone Openeye Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-(5-chloro-2-hydroxy-phenyl)methanone CAS Name: [4-(1,3-benzodioxol-5-ylmethyl)-1-piperazin-4-iumyl]-(5-chloro-2-hydroxyphenyl)methanone IUPAC Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-(5-chloro-2-hydroxyphenyl)methanone Traditional Name: (5-chloro-2-hydroxy-phenyl)-(4-piperonylpiperazin-4-ium-1-yl)methanone Formula: C19H20ClN2O4+ MolecularWeight: 375.8261

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H19ClN2O4/c20-14-2-3-16(23)15(10-14)19(24)22-7-5-21(6-8-22)11-13-1-4-17-18(9-13)26-12-25-17/h1-4,9-10,23H,5-8,11-12H2/p+1