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

Systemtic Name: 6-(4-propan-2-ylpiperazin-4-ium-1-yl)-N-[(3-propyl-1,2-oxazol-5-yl)methyl]pyridine-3-carboxamide Openeye Name: 6-(4-isopropylpiperazin-4-ium-1-yl)-N-[(3-propylisoxazol-5-yl)methyl]pyridine-3-carboxamide CAS Name: 6-(4-propan-2-yl-1-piperazin-4-iumyl)-N-[(3-propyl-5-isoxazolyl)methyl]-3-pyridinecarboxamide IUPAC Name: 6-(4-propan-2-ylpiperazin-4-ium-1-yl)-N-[(3-propyl-1,2-oxazol-5-yl)methyl]pyridine-3-carboxamide Traditional Name: 6-(4-isopropylpiperazin-4-ium-1-yl)-N-[(3-propylisoxazol-5-yl)methyl]nicotinamide Formula: C20H30N5O2+ MolecularWeight: 372.4845

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H29N5O2/c1-4-5-17-12-18(27-23-17)14-22-20(26)16-6-7-19(21-13-16)25-10-8-24(9-11-25)15(2)3/h6-7,12-13,15H,4-5,8-11,14H2,1-3H3,(H,22,26)/p+1