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

Systemtic Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-(4-ethylphenyl)methanone Openeye Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-(4-ethylphenyl)methanone CAS Name: [4-(1,3-benzodioxol-5-ylmethyl)-1-piperazin-4-iumyl]-(4-ethylphenyl)methanone IUPAC Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-(4-ethylphenyl)methanone Traditional Name: (4-ethylphenyl)-(4-piperonylpiperazin-4-ium-1-yl)methanone Formula: C21H25N2O3+ MolecularWeight: 353.4348

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(=O)N2CC[NH+](CC2)CC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CCC1=CC=C(C=C1)C(=O)N2CC[NH+](CC2)CC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C21H24N2O3/c1-2-16-3-6-18(7-4-16)21(24)23-11-9-22(10-12-23)14-17-5-8-19-20(13-17)26-15-25-19/h3-8,13H,2,9-12,14-15H2,1H3/p+1