3-[2-[(4-oxidanylidenepiperidin-1-ium-1-yl)methyl]phenyl]thiophene-2-carbonitrile

Systemtic Name: 3-[2-[(4-oxidanylidenepiperidin-1-ium-1-yl)methyl]phenyl]thiophene-2-carbonitrile Openeye Name: 3-[2-[(4-oxopiperidin-1-ium-1-yl)methyl]phenyl]thiophene-2-carbonitrile CAS Name: 3-[2-[(4-oxo-1-piperidin-1-iumyl)methyl]phenyl]-2-thiophenecarbonitrile IUPAC Name: 3-[2-[(4-oxopiperidin-1-ium-1-yl)methyl]phenyl]thiophene-2-carbonitrile Traditional Name: 3-[2-[(4-ketopiperidin-1-ium-1-yl)methyl]phenyl]thiophene-2-carbonitrile Formula: C17H17N2OS+ MolecularWeight: 297.39468

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1=O)CC2=CC=CC=C2C3=C(SC=C3)C#N

Isomeric SMILES

C1C[NH+](CCC1=O)CC2=CC=CC=C2C3=C(SC=C3)C#N

InChI

InChI=1S/C17H16N2OS/c18-11-17-16(7-10-21-17)15-4-2-1-3-13(15)12-19-8-5-14(20)6-9-19/h1-4,7,10H,5-6,8-9,12H2/p+1