N-(5-chloranylpyridin-2-yl)-2-[4-(3-methylphenyl)piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(5-chloranylpyridin-2-yl)-2-[4-(3-methylphenyl)piperazin-1-ium-1-yl]ethanamide Openeye Name: N-(5-chloro-2-pyridyl)-2-[4-(m-tolyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-(5-chloro-2-pyridinyl)-2-[4-(3-methylphenyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(5-chloropyridin-2-yl)-2-[4-(3-methylphenyl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-(5-chloro-2-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=NC=C(C=C3)Cl

Isomeric SMILES

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

InChI

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