6-[4-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl]piperazin-4-ium-1-yl]pyridine-3-carboxamide

Systemtic Name: 6-[4-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl]piperazin-4-ium-1-yl]pyridine-3-carboxamide Openeye Name: 6-[4-[[5-(4-chlorophenyl)oxazol-2-yl]methyl]piperazin-4-ium-1-yl]pyridine-3-carboxamide CAS Name: 6-[4-[[5-(4-chlorophenyl)-2-oxazolyl]methyl]-1-piperazin-4-iumyl]-3-pyridinecarboxamide IUPAC Name: 6-[4-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl]piperazin-4-ium-1-yl]pyridine-3-carboxamide Traditional Name: 6-[4-[[5-(4-chlorophenyl)oxazol-2-yl]methyl]piperazin-4-ium-1-yl]nicotinamide Formula: C20H21ClN5O2+ MolecularWeight: 398.86604

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=NC=C(O2)C3=CC=C(C=C3)Cl)C4=NC=C(C=C4)C(=O)N

Isomeric SMILES

C1CN(CC[NH+]1CC2=NC=C(O2)C3=CC=C(C=C3)Cl)C4=NC=C(C=C4)C(=O)N

InChI

InChI=1S/C20H20ClN5O2/c21-16-4-1-14(2-5-16)17-12-24-19(28-17)13-25-7-9-26(10-8-25)18-6-3-15(11-23-18)20(22)27/h1-6,11-12H,7-10,13H2,(H2,22,27)/p+1