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

Systemtic Name: N-(2-chloranylpyridin-3-yl)-2-[4-[(2-methylphenyl)methyl]piperazine-1,4-diium-1-yl]ethanamide Openeye Name: N-(2-chloro-3-pyridyl)-2-[4-(o-tolylmethyl)piperazine-1,4-diium-1-yl]acetamide CAS Name: N-(2-chloro-3-pyridinyl)-2-[4-[(2-methylphenyl)methyl]-1-piperazine-1,4-diiumyl]acetamide IUPAC Name: N-(2-chloropyridin-3-yl)-2-[4-[(2-methylphenyl)methyl]piperazine-1,4-diium-1-yl]acetamide Traditional Name: N-(2-chloro-3-pyridyl)-2-[4-(2-methylbenzyl)piperazine-1,4-diium-1-yl]acetamide Formula: C19H25ClN4O+2 MolecularWeight: 360.881

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C[NH+]2CC[NH+](CC2)CC(=O)NC3=C(N=CC=C3)Cl

Isomeric SMILES

CC1=CC=CC=C1C[NH+]2CC[NH+](CC2)CC(=O)NC3=C(N=CC=C3)Cl

InChI

InChI=1S/C19H23ClN4O/c1-15-5-2-3-6-16(15)13-23-9-11-24(12-10-23)14-18(25)22-17-7-4-8-21-19(17)20/h2-8H,9-14H2,1H3,(H,22,25)/p+2