[(2S)-4-methyl-2-phenyl-piperazin-1-yl]-(1-oxidanidylpyridin-1-ium-4-yl)methanone

Systemtic Name: [(2S)-4-methyl-2-phenyl-piperazin-1-yl]-(1-oxidanidylpyridin-1-ium-4-yl)methanone Openeye Name: [(2S)-4-methyl-2-phenyl-piperazin-1-yl]-(1-oxidopyridin-1-ium-4-yl)methanone CAS Name: [(2S)-4-methyl-2-phenyl-1-piperazinyl]-(1-oxido-4-pyridin-1-iumyl)methanone IUPAC Name: [(2S)-4-methyl-2-phenylpiperazin-1-yl]-(1-oxidopyridin-1-ium-4-yl)methanone Traditional Name: [(2S)-4-methyl-2-phenyl-piperazino]-(1-oxidopyridin-1-ium-4-yl)methanone Formula: C17H19N3O2 MolecularWeight: 297.35166

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(C(C1)C2=CC=CC=C2)C(=O)C3=CC=[N+](C=C3)[O-]

Isomeric SMILES

CN1CCN([C@H](C1)C2=CC=CC=C2)C(=O)C3=CC=[N+](C=C3)[O-]

InChI

InChI=1S/C17H19N3O2/c1-18-11-12-20(16(13-18)14-5-3-2-4-6-14)17(21)15-7-9-19(22)10-8-15/h2-10,16H,11-13H2,1H3/t16-/m1/s1