1-[[2-(4-ethanoylpiperazin-1-yl)pyridin-1-ium-3-yl]methyl]-3-phenethyl-urea

Systemtic Name: 1-[[2-(4-ethanoylpiperazin-1-yl)pyridin-1-ium-3-yl]methyl]-3-phenethyl-urea Openeye Name: 1-[[2-(4-acetylpiperazin-1-yl)pyridin-1-ium-3-yl]methyl]-3-phenethyl-urea CAS Name: 1-[[2-(4-acetyl-1-piperazinyl)-3-pyridin-1-iumyl]methyl]-3-phenethylurea IUPAC Name: 1-[[2-(4-acetylpiperazin-1-yl)pyridin-1-ium-3-yl]methyl]-3-phenethylurea Traditional Name: 1-[[2-(4-acetylpiperazino)pyridin-1-ium-3-yl]methyl]-3-phenethyl-urea Formula: C21H28N5O2+ MolecularWeight: 382.47932

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCN(CC1)C2=C(C=CC=[NH+]2)CNC(=O)NCCC3=CC=CC=C3

Isomeric SMILES

CC(=O)N1CCN(CC1)C2=C(C=CC=[NH+]2)CNC(=O)NCCC3=CC=CC=C3

InChI

InChI=1S/C21H27N5O2/c1-17(27)25-12-14-26(15-13-25)20-19(8-5-10-22-20)16-24-21(28)23-11-9-18-6-3-2-4-7-18/h2-8,10H,9,11-16H2,1H3,(H2,23,24,28)/p+1