N-(2-chloranylpyridin-3-yl)-2-[4-(3-methylphenyl)piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(2-chloranylpyridin-3-yl)-2-[4-(3-methylphenyl)piperazin-1-ium-1-yl]ethanamide Openeye Name: N-(2-chloro-3-pyridyl)-2-[4-(m-tolyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-(2-chloro-3-pyridinyl)-2-[4-(3-methylphenyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(2-chloropyridin-3-yl)-2-[4-(3-methylphenyl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-(2-chloro-3-pyridyl)-2-[4-(m-tolyl)piperazin-1-ium-1-yl]acetamide Formula: C18H22ClN4O+ MolecularWeight: 345.84648

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2CC[NH+](CC2)CC(=O)NC3=C(N=CC=C3)Cl

Isomeric SMILES

CC1=CC(=CC=C1)N2CC[NH+](CC2)CC(=O)NC3=C(N=CC=C3)Cl

InChI

InChI=1S/C18H21ClN4O/c1-14-4-2-5-15(12-14)23-10-8-22(9-11-23)13-17(24)21-16-6-3-7-20-18(16)19/h2-7,12H,8-11,13H2,1H3,(H,21,24)/p+1