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

Systemtic Name: 6-[4-(cyclobutylmethyl)piperazin-4-ium-1-yl]-N-[(3-propyl-1,2-oxazol-5-yl)methyl]pyridine-3-carboxamide Openeye Name: 6-[4-(cyclobutylmethyl)piperazin-4-ium-1-yl]-N-[(3-propylisoxazol-5-yl)methyl]pyridine-3-carboxamide CAS Name: 6-[4-(cyclobutylmethyl)-1-piperazin-4-iumyl]-N-[(3-propyl-5-isoxazolyl)methyl]-3-pyridinecarboxamide IUPAC Name: 6-[4-(cyclobutylmethyl)piperazin-4-ium-1-yl]-N-[(3-propyl-1,2-oxazol-5-yl)methyl]pyridine-3-carboxamide Traditional Name: 6-[4-(cyclobutylmethyl)piperazin-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)CC4CCC4

Isomeric SMILES

CCCC1=NOC(=C1)CNC(=O)C2=CN=C(C=C2)N3CC[NH+](CC3)CC4CCC4

InChI

InChI=1S/C22H31N5O2/c1-2-4-19-13-20(29-25-19)15-24-22(28)18-7-8-21(23-14-18)27-11-9-26(10-12-27)16-17-5-3-6-17/h7-8,13-14,17H,2-6,9-12,15-16H2,1H3,(H,24,28)/p+1