2-[4-(2-chlorophenyl)carbonylpiperazin-1-ium-1-yl]-N-(furan-2-ylmethyl)-N-(phenylmethyl)ethanamide

Systemtic Name: 2-[4-(2-chlorophenyl)carbonylpiperazin-1-ium-1-yl]-N-(furan-2-ylmethyl)-N-(phenylmethyl)ethanamide Openeye Name: N-benzyl-2-[4-(2-chlorobenzoyl)piperazin-1-ium-1-yl]-N-(2-furylmethyl)acetamide CAS Name: 2-[4-[(2-chlorophenyl)-oxomethyl]-1-piperazin-1-iumyl]-N-(2-furanylmethyl)-N-(phenylmethyl)acetamide IUPAC Name: N-benzyl-2-[4-(2-chlorobenzoyl)piperazin-1-ium-1-yl]-N-(furan-2-ylmethyl)acetamide Traditional Name: N-benzyl-2-[4-(2-chlorobenzoyl)piperazin-1-ium-1-yl]-N-(2-furfuryl)acetamide Formula: C25H27ClN3O3+ MolecularWeight: 452.95318

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)N(CC2=CC=CC=C2)CC3=CC=CO3)C(=O)C4=CC=CC=C4Cl

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)N(CC2=CC=CC=C2)CC3=CC=CO3)C(=O)C4=CC=CC=C4Cl

InChI

InChI=1S/C25H26ClN3O3/c26-23-11-5-4-10-22(23)25(31)28-14-12-27(13-15-28)19-24(30)29(18-21-9-6-16-32-21)17-20-7-2-1-3-8-20/h1-11,16H,12-15,17-19H2/p+1