[1-[(E)-3-(5-chloranyl-2-oxidanyl-phenyl)-2-cyano-prop-2-enoyl]piperidin-4-yl]azanium

Systemtic Name: [1-[(E)-3-(5-chloranyl-2-oxidanyl-phenyl)-2-cyano-prop-2-enoyl]piperidin-4-yl]azanium Openeye Name: [1-[(E)-3-(5-chloro-2-hydroxy-phenyl)-2-cyano-prop-2-enoyl]-4-piperidyl]ammonium CAS Name: [1-[(E)-3-(5-chloro-2-hydroxyphenyl)-2-cyano-1-oxoprop-2-enyl]-4-piperidinyl]ammonium IUPAC Name: [1-[(E)-3-(5-chloro-2-hydroxyphenyl)-2-cyanoprop-2-enoyl]piperidin-4-yl]azanium Traditional Name: [1-[(E)-3-(5-chloro-2-hydroxy-phenyl)-2-cyano-acryloyl]-4-piperidyl]ammonium Formula: C15H17ClN3O2+ MolecularWeight: 306.76738

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1[NH3+])C(=O)C(=CC2=C(C=CC(=C2)Cl)O)C#N

Isomeric SMILES

C1CN(CCC1[NH3+])C(=O)/C(=C/C2=C(C=CC(=C2)Cl)O)/C#N

InChI

InChI=1S/C15H16ClN3O2/c16-12-1-2-14(20)10(8-12)7-11(9-17)15(21)19-5-3-13(18)4-6-19/h1-2,7-8,13,20H,3-6,18H2/p+1/b11-7+