(4-methoxycarbonylphenyl)methyl-[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]azanium

Systemtic Name: (4-methoxycarbonylphenyl)methyl-[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]azanium Openeye Name: (4-methoxycarbonylphenyl)methyl-[(3S)-1-pyrimidin-2-yl-3-piperidyl]ammonium CAS Name: (4-methoxycarbonylphenyl)methyl-[(3S)-1-(2-pyrimidinyl)-3-piperidinyl]ammonium IUPAC Name: (4-methoxycarbonylphenyl)methyl-[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]azanium Traditional Name: (4-carbomethoxybenzyl)-[(3S)-1-(2-pyrimidyl)-3-piperidyl]ammonium Formula: C18H23N4O2+ MolecularWeight: 327.40082

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)C[NH2+]C2CCCN(C2)C3=NC=CC=N3

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)C[NH2+][C@H]2CCCN(C2)C3=NC=CC=N3

InChI

InChI=1S/C18H22N4O2/c1-24-17(23)15-7-5-14(6-8-15)12-21-16-4-2-11-22(13-16)18-19-9-3-10-20-18/h3,5-10,16,21H,2,4,11-13H2,1H3/p+1/t16-/m0/s1