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

Systemtic Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-(5-chloranyl-2-methoxy-phenyl)methanone Openeye Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-(5-chloro-2-methoxy-phenyl)methanone CAS Name: [4-(1,3-benzodioxol-5-ylmethyl)-1-piperazin-4-iumyl]-(5-chloro-2-methoxyphenyl)methanone IUPAC Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-(5-chloro-2-methoxyphenyl)methanone Traditional Name: (5-chloro-2-methoxy-phenyl)-(4-piperonylpiperazin-4-ium-1-yl)methanone Formula: C20H22ClN2O4+ MolecularWeight: 389.85268

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Cl)C(=O)N2CC[NH+](CC2)CC3=CC4=C(C=C3)OCO4

Isomeric SMILES

COC1=C(C=C(C=C1)Cl)C(=O)N2CC[NH+](CC2)CC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C20H21ClN2O4/c1-25-17-5-3-15(21)11-16(17)20(24)23-8-6-22(7-9-23)12-14-2-4-18-19(10-14)27-13-26-18/h2-5,10-11H,6-9,12-13H2,1H3/p+1