N-(3-chloranyl-2-methyl-phenyl)-2-[2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)ethanoylamino]ethanamide

Systemtic Name: N-(3-chloranyl-2-methyl-phenyl)-2-[2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)ethanoylamino]ethanamide Openeye Name: N-(3-chloro-2-methyl-phenyl)-2-[[2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)acetyl]amino]acetamide CAS Name: N-(3-chloro-2-methylphenyl)-2-[[1-oxo-2-[4-(2-pyridin-1-iumyl)-1-piperazin-1-iumyl]ethyl]amino]acetamide IUPAC Name: N-(3-chloro-2-methylphenyl)-2-[[2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)acetyl]amino]acetamide Traditional Name: N-(3-chloro-2-methyl-phenyl)-2-[[2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)acetyl]amino]acetamide Formula: C20H26ClN5O2+2 MolecularWeight: 403.90574

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1Cl)NC(=O)CNC(=O)C[NH+]2CCN(CC2)C3=CC=CC=[NH+]3

Isomeric SMILES

CC1=C(C=CC=C1Cl)NC(=O)CNC(=O)C[NH+]2CCN(CC2)C3=CC=CC=[NH+]3

InChI

InChI=1S/C20H24ClN5O2/c1-15-16(21)5-4-6-17(15)24-19(27)13-23-20(28)14-25-9-11-26(12-10-25)18-7-2-3-8-22-18/h2-8H,9-14H2,1H3,(H,23,28)(H,24,27)/p+2