N-(furan-2-ylmethyl)-N-(phenylmethyl)-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)ethanamide

Systemtic Name: N-(furan-2-ylmethyl)-N-(phenylmethyl)-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)ethanamide Openeye Name: N-benzyl-N-(2-furylmethyl)-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)acetamide CAS Name: N-(2-furanylmethyl)-N-(phenylmethyl)-2-[4-(2-pyrimidinyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: N-benzyl-N-(furan-2-ylmethyl)-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)acetamide Traditional Name: N-benzyl-N-(2-furfuryl)-2-[4-(2-pyrimidyl)piperazin-1-ium-1-yl]acetamide Formula: C22H26N5O2+ MolecularWeight: 392.47414

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)N(CC2=CC=CC=C2)CC3=CC=CO3)C4=NC=CC=N4

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)N(CC2=CC=CC=C2)CC3=CC=CO3)C4=NC=CC=N4

InChI

InChI=1S/C22H25N5O2/c28-21(18-25-11-13-26(14-12-25)22-23-9-5-10-24-22)27(17-20-8-4-15-29-20)16-19-6-2-1-3-7-19/h1-10,15H,11-14,16-18H2/p+1