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

Systemtic Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-(4-methoxy-2-oxidanyl-phenyl)methanone Openeye Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-(2-hydroxy-4-methoxy-phenyl)methanone CAS Name: [4-(1,3-benzodioxol-5-ylmethyl)-1-piperazin-4-iumyl]-(2-hydroxy-4-methoxyphenyl)methanone IUPAC Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-(2-hydroxy-4-methoxyphenyl)methanone Traditional Name: (2-hydroxy-4-methoxy-phenyl)-(4-piperonylpiperazin-4-ium-1-yl)methanone Formula: C20H23N2O5+ MolecularWeight: 371.40702

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22N2O5/c1-25-15-3-4-16(17(23)11-15)20(24)22-8-6-21(7-9-22)12-14-2-5-18-19(10-14)27-13-26-18/h2-5,10-11,23H,6-9,12-13H2,1H3/p+1