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

Systemtic Name: [(2S)-1-azanyl-1-oxidanylidene-3-phenyl-propan-2-yl]-[1-[3-(pyridin-4-ylcarbonylamino)phenyl]piperidin-4-yl]azanium Openeye Name: [(1S)-2-amino-1-benzyl-2-oxo-ethyl]-[1-[3-(pyridine-4-carbonylamino)phenyl]-4-piperidyl]ammonium CAS Name: [(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]-[1-[3-[[oxo(pyridin-4-yl)methyl]amino]phenyl]-4-piperidinyl]ammonium IUPAC Name: [(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]-[1-[3-(pyridine-4-carbonylamino)phenyl]piperidin-4-yl]azanium Traditional Name: [(1S)-2-amino-1-benzyl-2-keto-ethyl]-[1-(3-isonicotinamidophenyl)-4-piperidyl]ammonium Formula: C26H30N5O2+ MolecularWeight: 444.5487

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1[NH2+]C(CC2=CC=CC=C2)C(=O)N)C3=CC(=CC=C3)NC(=O)C4=CC=NC=C4

Isomeric SMILES

C1CN(CCC1[NH2+][C@@H](CC2=CC=CC=C2)C(=O)N)C3=CC(=CC=C3)NC(=O)C4=CC=NC=C4

InChI

InChI=1S/C26H29N5O2/c27-25(32)24(17-19-5-2-1-3-6-19)29-21-11-15-31(16-12-21)23-8-4-7-22(18-23)30-26(33)20-9-13-28-14-10-20/h1-10,13-14,18,21,24,29H,11-12,15-17H2,(H2,27,32)(H,30,33)/p+1/t24-/m0/s1