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

Systemtic Name: 6-(4-cyclopentylpiperazin-4-ium-1-yl)-N-[(3-propyl-1,2-oxazol-5-yl)methyl]pyridine-3-carboxamide Openeye Name: 6-(4-cyclopentylpiperazin-4-ium-1-yl)-N-[(3-propylisoxazol-5-yl)methyl]pyridine-3-carboxamide CAS Name: 6-(4-cyclopentyl-1-piperazin-4-iumyl)-N-[(3-propyl-5-isoxazolyl)methyl]-3-pyridinecarboxamide IUPAC Name: 6-(4-cyclopentylpiperazin-4-ium-1-yl)-N-[(3-propyl-1,2-oxazol-5-yl)methyl]pyridine-3-carboxamide Traditional Name: 6-(4-cyclopentylpiperazin-4-ium-1-yl)-N-[(3-propylisoxazol-5-yl)methyl]nicotinamide Formula: C22H32N5O2+ MolecularWeight: 398.52178

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NOC(=C1)CNC(=O)C2=CN=C(C=C2)N3CC[NH+](CC3)C4CCCC4

Isomeric SMILES

CCCC1=NOC(=C1)CNC(=O)C2=CN=C(C=C2)N3CC[NH+](CC3)C4CCCC4

InChI

InChI=1S/C22H31N5O2/c1-2-5-18-14-20(29-25-18)16-24-22(28)17-8-9-21(23-15-17)27-12-10-26(11-13-27)19-6-3-4-7-19/h8-9,14-15,19H,2-7,10-13,16H2,1H3,(H,24,28)/p+1