N-(2-chloranylpyridin-3-yl)-2-[4-(2-phenoxyethyl)piperazine-1,4-diium-1-yl]ethanamide

Systemtic Name: N-(2-chloranylpyridin-3-yl)-2-[4-(2-phenoxyethyl)piperazine-1,4-diium-1-yl]ethanamide Openeye Name: N-(2-chloro-3-pyridyl)-2-[4-(2-phenoxyethyl)piperazine-1,4-diium-1-yl]acetamide CAS Name: N-(2-chloro-3-pyridinyl)-2-[4-(2-phenoxyethyl)-1-piperazine-1,4-diiumyl]acetamide IUPAC Name: N-(2-chloropyridin-3-yl)-2-[4-(2-phenoxyethyl)piperazine-1,4-diium-1-yl]acetamide Traditional Name: N-(2-chloro-3-pyridyl)-2-[4-(2-phenoxyethyl)piperazine-1,4-diium-1-yl]acetamide Formula: C19H25ClN4O2+2 MolecularWeight: 376.8804

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC[NH+]1CCOC2=CC=CC=C2)CC(=O)NC3=C(N=CC=C3)Cl

Isomeric SMILES

C1C[NH+](CC[NH+]1CCOC2=CC=CC=C2)CC(=O)NC3=C(N=CC=C3)Cl

InChI

InChI=1S/C19H23ClN4O2/c20-19-17(7-4-8-21-19)22-18(25)15-24-11-9-23(10-12-24)13-14-26-16-5-2-1-3-6-16/h1-8H,9-15H2,(H,22,25)/p+2