[(1S)-2-methoxy-2-oxidanylidene-1-phenyl-ethyl]-[1-[4-(pyrazin-2-ylcarbonylamino)phenyl]piperidin-4-yl]azanium

Systemtic Name: [(1S)-2-methoxy-2-oxidanylidene-1-phenyl-ethyl]-[1-[4-(pyrazin-2-ylcarbonylamino)phenyl]piperidin-4-yl]azanium Openeye Name: [(1S)-2-methoxy-2-oxo-1-phenyl-ethyl]-[1-[4-(pyrazine-2-carbonylamino)phenyl]-4-piperidyl]ammonium CAS Name: [(1S)-2-methoxy-2-oxo-1-phenylethyl]-[1-[4-[[oxo(2-pyrazinyl)methyl]amino]phenyl]-4-piperidinyl]ammonium IUPAC Name: [(1S)-2-methoxy-2-oxo-1-phenylethyl]-[1-[4-(pyrazine-2-carbonylamino)phenyl]piperidin-4-yl]azanium Traditional Name: [(1S)-2-keto-2-methoxy-1-phenyl-ethyl]-[1-[4-(pyrazinoylamino)phenyl]-4-piperidyl]ammonium Formula: C25H28N5O3+ MolecularWeight: 446.52152

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(C1=CC=CC=C1)[NH2+]C2CCN(CC2)C3=CC=C(C=C3)NC(=O)C4=NC=CN=C4

Isomeric SMILES

COC(=O)[C@H](C1=CC=CC=C1)[NH2+]C2CCN(CC2)C3=CC=C(C=C3)NC(=O)C4=NC=CN=C4

InChI

InChI=1S/C25H27N5O3/c1-33-25(32)23(18-5-3-2-4-6-18)28-20-11-15-30(16-12-20)21-9-7-19(8-10-21)29-24(31)22-17-26-13-14-27-22/h2-10,13-14,17,20,23,28H,11-12,15-16H2,1H3,(H,29,31)/p+1/t23-/m0/s1