(8-methoxy-2H-chromen-3-yl)methyl-[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]azanium

Systemtic Name: (8-methoxy-2H-chromen-3-yl)methyl-[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]azanium Openeye Name: (8-methoxy-2H-chromen-3-yl)methyl-[(3S)-1-pyrimidin-2-yl-3-piperidyl]ammonium CAS Name: (8-methoxy-2H-1-benzopyran-3-yl)methyl-[(3S)-1-(2-pyrimidinyl)-3-piperidinyl]ammonium IUPAC Name: (8-methoxy-2H-chromen-3-yl)methyl-[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]azanium Traditional Name: (8-methoxy-2H-chromen-3-yl)methyl-[(3S)-1-(2-pyrimidyl)-3-piperidyl]ammonium Formula: C20H25N4O2+ MolecularWeight: 353.4381

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC2=C1OCC(=C2)C[NH2+]C3CCCN(C3)C4=NC=CC=N4

Isomeric SMILES

COC1=CC=CC2=C1OCC(=C2)C[NH2+][C@H]3CCCN(C3)C4=NC=CC=N4

InChI

InChI=1S/C20H24N4O2/c1-25-18-7-2-5-16-11-15(14-26-19(16)18)12-23-17-6-3-10-24(13-17)20-21-8-4-9-22-20/h2,4-5,7-9,11,17,23H,3,6,10,12-14H2,1H3/p+1/t17-/m0/s1