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

Systemtic Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-(4-ethoxyphenyl)methanone Openeye Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-(4-ethoxyphenyl)methanone CAS Name: [4-(1,3-benzodioxol-5-ylmethyl)-1-piperazin-4-iumyl]-(4-ethoxyphenyl)methanone IUPAC Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-(4-ethoxyphenyl)methanone Traditional Name: (4-piperonylpiperazin-4-ium-1-yl)-p-phenetyl-methanone Formula: C21H25N2O4+ MolecularWeight: 369.4342

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C(=O)N2CC[NH+](CC2)CC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CCOC1=CC=C(C=C1)C(=O)N2CC[NH+](CC2)CC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C21H24N2O4/c1-2-25-18-6-4-17(5-7-18)21(24)23-11-9-22(10-12-23)14-16-3-8-19-20(13-16)27-15-26-19/h3-8,13H,2,9-12,14-15H2,1H3/p+1