6-(4-methylpiperazin-4-ium-1-yl)-N-[(3-propyl-1,2-oxazol-5-yl)methyl]pyridine-3-carboxamide

Systemtic Name: 6-(4-methylpiperazin-4-ium-1-yl)-N-[(3-propyl-1,2-oxazol-5-yl)methyl]pyridine-3-carboxamide Openeye Name: 6-(4-methylpiperazin-4-ium-1-yl)-N-[(3-propylisoxazol-5-yl)methyl]pyridine-3-carboxamide CAS Name: 6-(4-methyl-1-piperazin-4-iumyl)-N-[(3-propyl-5-isoxazolyl)methyl]-3-pyridinecarboxamide IUPAC Name: 6-(4-methylpiperazin-4-ium-1-yl)-N-[(3-propyl-1,2-oxazol-5-yl)methyl]pyridine-3-carboxamide Traditional Name: 6-(4-methylpiperazin-4-ium-1-yl)-N-[(3-propylisoxazol-5-yl)methyl]nicotinamide Formula: C18H26N5O2+ MolecularWeight: 344.43134

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NOC(=C1)CNC(=O)C2=CN=C(C=C2)N3CC[NH+](CC3)C

Isomeric SMILES

CCCC1=NOC(=C1)CNC(=O)C2=CN=C(C=C2)N3CC[NH+](CC3)C

InChI

InChI=1S/C18H25N5O2/c1-3-4-15-11-16(25-21-15)13-20-18(24)14-5-6-17(19-12-14)23-9-7-22(2)8-10-23/h5-6,11-12H,3-4,7-10,13H2,1-2H3,(H,20,24)/p+1