1-(1,3-benzodioxol-5-yl)-3-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]propan-1-one

Systemtic Name: 1-(1,3-benzodioxol-5-yl)-3-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]propan-1-one Openeye Name: 1-(1,3-benzodioxol-5-yl)-3-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]propan-1-one CAS Name: 1-(1,3-benzodioxol-5-yl)-3-[4-(4-methoxyphenyl)-1-piperazin-1-iumyl]-1-propanone IUPAC Name: 1-(1,3-benzodioxol-5-yl)-3-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]propan-1-one Traditional Name: 1-(1,3-benzodioxol-5-yl)-3-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]propan-1-one Formula: C21H25N2O4+ MolecularWeight: 369.4342

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24N2O4/c1-25-18-5-3-17(4-6-18)23-12-10-22(11-13-23)9-8-19(24)16-2-7-20-21(14-16)27-15-26-20/h2-7,14H,8-13,15H2,1H3/p+1