N-(2-chloranyl-4,6-dimethyl-phenyl)-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)ethanamide

Systemtic Name: N-(2-chloranyl-4,6-dimethyl-phenyl)-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)ethanamide Openeye Name: N-(2-chloro-4,6-dimethyl-phenyl)-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)acetamide CAS Name: N-(2-chloro-4,6-dimethylphenyl)-2-[4-(2-pyridin-1-iumyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(2-chloro-4,6-dimethylphenyl)-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)acetamide Traditional Name: N-(2-chloro-4,6-dimethyl-phenyl)-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)acetamide Formula: C19H25ClN4O+2 MolecularWeight: 360.881

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)Cl)NC(=O)C[NH+]2CCN(CC2)C3=CC=CC=[NH+]3)C

Isomeric SMILES

CC1=CC(=C(C(=C1)Cl)NC(=O)C[NH+]2CCN(CC2)C3=CC=CC=[NH+]3)C

InChI

InChI=1S/C19H23ClN4O/c1-14-11-15(2)19(16(20)12-14)22-18(25)13-23-7-9-24(10-8-23)17-5-3-4-6-21-17/h3-6,11-12H,7-10,13H2,1-2H3,(H,22,25)/p+2