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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)C[NH+]2CC[NH+](CC2)CC(=O)NC3=C(N=CC=C3)Cl

Isomeric SMILES

CC1=CC(=CC=C1)C[NH+]2CC[NH+](CC2)CC(=O)NC3=C(N=CC=C3)Cl

InChI

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