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

Systemtic Name: 6-[(3S)-3,4-dimethylpiperazin-4-ium-1-yl]-N-[(3-propyl-1,2-oxazol-5-yl)methyl]pyridine-3-carboxamide Openeye Name: 6-[(3S)-3,4-dimethylpiperazin-4-ium-1-yl]-N-[(3-propylisoxazol-5-yl)methyl]pyridine-3-carboxamide CAS Name: 6-[(3S)-3,4-dimethyl-1-piperazin-4-iumyl]-N-[(3-propyl-5-isoxazolyl)methyl]-3-pyridinecarboxamide IUPAC Name: 6-[(3S)-3,4-dimethylpiperazin-4-ium-1-yl]-N-[(3-propyl-1,2-oxazol-5-yl)methyl]pyridine-3-carboxamide Traditional Name: 6-[(3S)-3,4-dimethylpiperazin-4-ium-1-yl]-N-[(3-propylisoxazol-5-yl)methyl]nicotinamide Formula: C19H28N5O2+ MolecularWeight: 358.45792

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NOC(=C1)CNC(=O)C2=CN=C(C=C2)N3CC[NH+](C(C3)C)C

Isomeric SMILES

CCCC1=NOC(=C1)CNC(=O)C2=CN=C(C=C2)N3CC[NH+]([C@H](C3)C)C

InChI

InChI=1S/C19H27N5O2/c1-4-5-16-10-17(26-22-16)12-21-19(25)15-6-7-18(20-11-15)24-9-8-23(3)14(2)13-24/h6-7,10-11,14H,4-5,8-9,12-13H2,1-3H3,(H,21,25)/p+1/t14-/m0/s1