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

Systemtic Name: 2-[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-ium-1-yl]ethanoylamino]-N-(furan-2-ylmethyl)benzamide Openeye Name: 2-[[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-ium-1-yl]acetyl]amino]-N-(2-furylmethyl)benzamide CAS Name: 2-[[2-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazin-1-iumyl]-1-oxoethyl]amino]-N-(2-furanylmethyl)benzamide IUPAC Name: 2-[[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-ium-1-yl]acetyl]amino]-N-(furan-2-ylmethyl)benzamide Traditional Name: N-(2-furfuryl)-2-[[2-(4-piperonylpiperazin-1-ium-1-yl)acetyl]amino]benzamide Formula: C26H29N4O5+ MolecularWeight: 477.53226

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)NC2=CC=CC=C2C(=O)NCC3=CC=CO3)CC4=CC5=C(C=C4)OCO5

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)NC2=CC=CC=C2C(=O)NCC3=CC=CO3)CC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C26H28N4O5/c31-25(28-22-6-2-1-5-21(22)26(32)27-15-20-4-3-13-33-20)17-30-11-9-29(10-12-30)16-19-7-8-23-24(14-19)35-18-34-23/h1-8,13-14H,9-12,15-18H2,(H,27,32)(H,28,31)/p+1