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

Systemtic Name: N-(2-chloranylpyridin-3-yl)-2-[4-(naphthalen-1-ylmethyl)piperazine-1,4-diium-1-yl]ethanamide Openeye Name: N-(2-chloro-3-pyridyl)-2-[4-(1-naphthylmethyl)piperazine-1,4-diium-1-yl]acetamide CAS Name: N-(2-chloro-3-pyridinyl)-2-[4-(1-naphthalenylmethyl)-1-piperazine-1,4-diiumyl]acetamide IUPAC Name: N-(2-chloropyridin-3-yl)-2-[4-(naphthalen-1-ylmethyl)piperazine-1,4-diium-1-yl]acetamide Traditional Name: N-(2-chloro-3-pyridyl)-2-[4-(1-naphthylmethyl)piperazine-1,4-diium-1-yl]acetamide Formula: C22H25ClN4O+2 MolecularWeight: 396.9131

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC[NH+]1CC2=CC=CC3=CC=CC=C32)CC(=O)NC4=C(N=CC=C4)Cl

Isomeric SMILES

C1C[NH+](CC[NH+]1CC2=CC=CC3=CC=CC=C32)CC(=O)NC4=C(N=CC=C4)Cl

InChI

InChI=1S/C22H23ClN4O/c23-22-20(9-4-10-24-22)25-21(28)16-27-13-11-26(12-14-27)15-18-7-3-6-17-5-1-2-8-19(17)18/h1-10H,11-16H2,(H,25,28)/p+2