(1-oxidanidylpyridin-1-ium-3-yl)-(4-phenylpiperazin-1-yl)methanone

Systemtic Name: (1-oxidanidylpyridin-1-ium-3-yl)-(4-phenylpiperazin-1-yl)methanone Openeye Name: (1-oxidopyridin-1-ium-3-yl)-(4-phenylpiperazin-1-yl)methanone CAS Name: (1-oxido-3-pyridin-1-iumyl)-(4-phenyl-1-piperazinyl)methanone IUPAC Name: (1-oxidopyridin-1-ium-3-yl)-(4-phenylpiperazin-1-yl)methanone Traditional Name: (1-oxidopyridin-1-ium-3-yl)-(4-phenylpiperazino)methanone Formula: C16H17N3O2 MolecularWeight: 283.32508

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=C2)C(=O)C3=C[N+](=CC=C3)[O-]

Isomeric SMILES

C1CN(CCN1C2=CC=CC=C2)C(=O)C3=C[N+](=CC=C3)[O-]

InChI

InChI=1S/C16H17N3O2/c20-16(14-5-4-8-19(21)13-14)18-11-9-17(10-12-18)15-6-2-1-3-7-15/h1-8,13H,9-12H2