N-(3-chloranyl-4-cyano-phenyl)-3-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-4-ium-1-yl]propanamide

Systemtic Name: N-(3-chloranyl-4-cyano-phenyl)-3-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-4-ium-1-yl]propanamide Openeye Name: N-(3-chloro-4-cyano-phenyl)-3-[4-[(3-methylisoxazol-5-yl)methyl]piperazin-4-ium-1-yl]propanamide CAS Name: N-(3-chloro-4-cyanophenyl)-3-[4-[(3-methyl-5-isoxazolyl)methyl]-1-piperazin-4-iumyl]propanamide IUPAC Name: N-(3-chloro-4-cyanophenyl)-3-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-4-ium-1-yl]propanamide Traditional Name: N-(3-chloro-4-cyano-phenyl)-3-[4-[(3-methylisoxazol-5-yl)methyl]piperazin-4-ium-1-yl]propionamide Formula: C19H23ClN5O2+ MolecularWeight: 388.87122

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NOC(=C1)C[NH+]2CCN(CC2)CCC(=O)NC3=CC(=C(C=C3)C#N)Cl

Isomeric SMILES

CC1=NOC(=C1)C[NH+]2CCN(CC2)CCC(=O)NC3=CC(=C(C=C3)C#N)Cl

InChI

InChI=1S/C19H22ClN5O2/c1-14-10-17(27-23-14)13-25-8-6-24(7-9-25)5-4-19(26)22-16-3-2-15(12-21)18(20)11-16/h2-3,10-11H,4-9,13H2,1H3,(H,22,26)/p+1