4-chloranyl-N-[6-(4-methylpiperazin-4-ium-1-yl)pyridin-3-yl]-3-(2-oxidanylidenepyrrolidin-1-yl)benzamide

Systemtic Name: 4-chloranyl-N-[6-(4-methylpiperazin-4-ium-1-yl)pyridin-3-yl]-3-(2-oxidanylidenepyrrolidin-1-yl)benzamide Openeye Name: 4-chloro-N-[6-(4-methylpiperazin-4-ium-1-yl)-3-pyridyl]-3-(2-oxopyrrolidin-1-yl)benzamide CAS Name: 4-chloro-N-[6-(4-methyl-1-piperazin-4-iumyl)-3-pyridinyl]-3-(2-oxo-1-pyrrolidinyl)benzamide IUPAC Name: 4-chloro-N-[6-(4-methylpiperazin-4-ium-1-yl)pyridin-3-yl]-3-(2-oxopyrrolidin-1-yl)benzamide Traditional Name: 4-chloro-3-(2-ketopyrrolidino)-N-[6-(4-methylpiperazin-4-ium-1-yl)-3-pyridyl]benzamide Formula: C21H25ClN5O2+ MolecularWeight: 414.9085

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C2=NC=C(C=C2)NC(=O)C3=CC(=C(C=C3)Cl)N4CCCC4=O

Isomeric SMILES

C[NH+]1CCN(CC1)C2=NC=C(C=C2)NC(=O)C3=CC(=C(C=C3)Cl)N4CCCC4=O

InChI

InChI=1S/C21H24ClN5O2/c1-25-9-11-26(12-10-25)19-7-5-16(14-23-19)24-21(29)15-4-6-17(22)18(13-15)27-8-2-3-20(27)28/h4-7,13-14H,2-3,8-12H2,1H3,(H,24,29)/p+1