N-(furan-2-ylmethyl)-2-[4-(2-methylphenyl)piperazin-1-ium-1-yl]-N-(phenylmethyl)ethanamide

Systemtic Name: N-(furan-2-ylmethyl)-2-[4-(2-methylphenyl)piperazin-1-ium-1-yl]-N-(phenylmethyl)ethanamide Openeye Name: N-benzyl-N-(2-furylmethyl)-2-[4-(o-tolyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-(2-furanylmethyl)-2-[4-(2-methylphenyl)-1-piperazin-1-iumyl]-N-(phenylmethyl)acetamide IUPAC Name: N-benzyl-N-(furan-2-ylmethyl)-2-[4-(2-methylphenyl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-benzyl-N-(2-furfuryl)-2-[4-(o-tolyl)piperazin-1-ium-1-yl]acetamide Formula: C25H30N3O2+ MolecularWeight: 404.5246

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2CC[NH+](CC2)CC(=O)N(CC3=CC=CC=C3)CC4=CC=CO4

Isomeric SMILES

CC1=CC=CC=C1N2CC[NH+](CC2)CC(=O)N(CC3=CC=CC=C3)CC4=CC=CO4

InChI

InChI=1S/C25H29N3O2/c1-21-8-5-6-12-24(21)27-15-13-26(14-16-27)20-25(29)28(19-23-11-7-17-30-23)18-22-9-3-2-4-10-22/h2-12,17H,13-16,18-20H2,1H3/p+1