[(1S)-2-oxidanylidene-1-phenyl-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethyl]azanium

Systemtic Name: [(1S)-2-oxidanylidene-1-phenyl-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethyl]azanium Openeye Name: [(1S)-2-oxo-1-phenyl-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethyl]ammonium CAS Name: [(1S)-2-oxo-1-phenyl-2-[4-(2-pyridin-1-iumyl)-1-piperazinyl]ethyl]ammonium IUPAC Name: [(1S)-2-oxo-1-phenyl-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethyl]azanium Traditional Name: [(1S)-2-keto-1-phenyl-2-(4-pyridin-1-ium-2-ylpiperazino)ethyl]ammonium Formula: C17H22N4O+2 MolecularWeight: 298.38278

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=[NH+]2)C(=O)C(C3=CC=CC=C3)[NH3+]

Isomeric SMILES

C1CN(CCN1C2=CC=CC=[NH+]2)C(=O)[C@H](C3=CC=CC=C3)[NH3+]

InChI

InChI=1S/C17H20N4O/c18-16(14-6-2-1-3-7-14)17(22)21-12-10-20(11-13-21)15-8-4-5-9-19-15/h1-9,16H,10-13,18H2/p+2/t16-/m0/s1