[4-oxidanylidene-2-[2-[[(3S)-3-phenylpiperidin-1-yl]methyl]phenyl]-1H-pyrimidin-6-yl]methylazanium

Systemtic Name: [4-oxidanylidene-2-[2-[[(3S)-3-phenylpiperidin-1-yl]methyl]phenyl]-1H-pyrimidin-6-yl]methylazanium Openeye Name: [4-oxo-2-[2-[[(3S)-3-phenyl-1-piperidyl]methyl]phenyl]-1H-pyrimidin-6-yl]methylammonium CAS Name: [4-oxo-2-[2-[[(3S)-3-phenyl-1-piperidinyl]methyl]phenyl]-1H-pyrimidin-6-yl]methylammonium IUPAC Name: [4-oxo-2-[2-[[(3S)-3-phenylpiperidin-1-yl]methyl]phenyl]-1H-pyrimidin-6-yl]methylazanium Traditional Name: [4-keto-2-[2-[[(3S)-3-phenylpiperidino]methyl]phenyl]-1H-pyrimidin-6-yl]methylammonium Formula: C23H27N4O+ MolecularWeight: 375.48668

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)CC2=CC=CC=C2C3=NC(=O)C=C(N3)C[NH3+])C4=CC=CC=C4

Isomeric SMILES

C1C[C@H](CN(C1)CC2=CC=CC=C2C3=NC(=O)C=C(N3)C[NH3+])C4=CC=CC=C4

InChI

InChI=1S/C23H26N4O/c24-14-20-13-22(28)26-23(25-20)21-11-5-4-9-19(21)16-27-12-6-10-18(15-27)17-7-2-1-3-8-17/h1-5,7-9,11,13,18H,6,10,12,14-16,24H2,(H,25,26,28)/p+1/t18-/m1/s1