2-[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-ium-1-yl]ethanoyl-methyl-amino]-N-(furan-2-ylmethyl)benzamide

Systemtic Name: 2-[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-ium-1-yl]ethanoyl-methyl-amino]-N-(furan-2-ylmethyl)benzamide Openeye Name: 2-[[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-ium-1-yl]acetyl]-methyl-amino]-N-(2-furylmethyl)benzamide CAS Name: 2-[[2-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazin-1-iumyl]-1-oxoethyl]-methylamino]-N-(2-furanylmethyl)benzamide IUPAC Name: 2-[[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-ium-1-yl]acetyl]-methylamino]-N-(furan-2-ylmethyl)benzamide Traditional Name: N-(2-furfuryl)-2-[methyl-[2-(4-piperonylpiperazin-1-ium-1-yl)acetyl]amino]benzamide Formula: C27H31N4O5+ MolecularWeight: 491.55884

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1=CC=CC=C1C(=O)NCC2=CC=CO2)C(=O)C[NH+]3CCN(CC3)CC4=CC5=C(C=C4)OCO5

Isomeric SMILES

CN(C1=CC=CC=C1C(=O)NCC2=CC=CO2)C(=O)C[NH+]3CCN(CC3)CC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C27H30N4O5/c1-29(23-7-3-2-6-22(23)27(33)28-16-21-5-4-14-34-21)26(32)18-31-12-10-30(11-13-31)17-20-8-9-24-25(15-20)36-19-35-24/h2-9,14-15H,10-13,16-19H2,1H3,(H,28,33)/p+1