4-(2-chlorophenyl)-N-[(2-morpholin-4-ylpyridin-1-ium-3-yl)methyl]piperazine-1-carboxamide

Systemtic Name: 4-(2-chlorophenyl)-N-[(2-morpholin-4-ylpyridin-1-ium-3-yl)methyl]piperazine-1-carboxamide Openeye Name: 4-(2-chlorophenyl)-N-[(2-morpholinopyridin-1-ium-3-yl)methyl]piperazine-1-carboxamide CAS Name: 4-(2-chlorophenyl)-N-[[2-(4-morpholinyl)-3-pyridin-1-iumyl]methyl]-1-piperazinecarboxamide IUPAC Name: 4-(2-chlorophenyl)-N-[(2-morpholin-4-ylpyridin-1-ium-3-yl)methyl]piperazine-1-carboxamide Traditional Name: 4-(2-chlorophenyl)-N-[(2-morpholinopyridin-1-ium-3-yl)methyl]piperazine-1-carboxamide Formula: C21H27ClN5O2+ MolecularWeight: 416.92438

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=C2Cl)C(=O)NCC3=C([NH+]=CC=C3)N4CCOCC4

Isomeric SMILES

C1CN(CCN1C2=CC=CC=C2Cl)C(=O)NCC3=C([NH+]=CC=C3)N4CCOCC4

InChI

InChI=1S/C21H26ClN5O2/c22-18-5-1-2-6-19(18)25-8-10-27(11-9-25)21(28)24-16-17-4-3-7-23-20(17)26-12-14-29-15-13-26/h1-7H,8-16H2,(H,24,28)/p+1