[(2S)-1-oxidanylidene-3-phenyl-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)propan-2-yl]azanium

Systemtic Name: [(2S)-1-oxidanylidene-3-phenyl-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)propan-2-yl]azanium Openeye Name: [(1S)-1-benzyl-2-oxo-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethyl]ammonium CAS Name: [(2S)-1-oxo-3-phenyl-1-[4-(2-pyridin-1-iumyl)-1-piperazinyl]propan-2-yl]ammonium IUPAC Name: [(2S)-1-oxo-3-phenyl-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)propan-2-yl]azanium Traditional Name: [(1S)-1-benzyl-2-keto-2-(4-pyridin-1-ium-2-ylpiperazino)ethyl]ammonium Formula: C18H24N4O+2 MolecularWeight: 312.40936

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=[NH+]2)C(=O)C(CC3=CC=CC=C3)[NH3+]

Isomeric SMILES

C1CN(CCN1C2=CC=CC=[NH+]2)C(=O)[C@H](CC3=CC=CC=C3)[NH3+]

InChI

InChI=1S/C18H22N4O/c19-16(14-15-6-2-1-3-7-15)18(23)22-12-10-21(11-13-22)17-8-4-5-9-20-17/h1-9,16H,10-14,19H2/p+2/t16-/m0/s1