[(1S)-2-methoxy-2-oxidanylidene-1-phenyl-ethyl]-[1-[3-(pyridin-4-ylcarbonylamino)phenyl]piperidin-4-yl]azanium

Systemtic Name: [(1S)-2-methoxy-2-oxidanylidene-1-phenyl-ethyl]-[1-[3-(pyridin-4-ylcarbonylamino)phenyl]piperidin-4-yl]azanium Openeye Name: [(1S)-2-methoxy-2-oxo-1-phenyl-ethyl]-[1-[3-(pyridine-4-carbonylamino)phenyl]-4-piperidyl]ammonium CAS Name: [(1S)-2-methoxy-2-oxo-1-phenylethyl]-[1-[3-[[oxo(pyridin-4-yl)methyl]amino]phenyl]-4-piperidinyl]ammonium IUPAC Name: [(1S)-2-methoxy-2-oxo-1-phenylethyl]-[1-[3-(pyridine-4-carbonylamino)phenyl]piperidin-4-yl]azanium Traditional Name: [1-(3-isonicotinamidophenyl)-4-piperidyl]-[(1S)-2-keto-2-methoxy-1-phenyl-ethyl]ammonium Formula: C26H29N4O3+ MolecularWeight: 445.53346

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H28N4O3/c1-33-26(32)24(19-6-3-2-4-7-19)28-21-12-16-30(17-13-21)23-9-5-8-22(18-23)29-25(31)20-10-14-27-15-11-20/h2-11,14-15,18,21,24,28H,12-13,16-17H2,1H3,(H,29,31)/p+1/t24-/m0/s1