[4-methoxy-3-(pyrazol-1-ylmethyl)phenyl]methyl-[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]azanium

Systemtic Name: [4-methoxy-3-(pyrazol-1-ylmethyl)phenyl]methyl-[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]azanium Openeye Name: [4-methoxy-3-(pyrazol-1-ylmethyl)phenyl]methyl-[(3S)-1-pyrimidin-2-yl-3-piperidyl]ammonium CAS Name: [4-methoxy-3-(1-pyrazolylmethyl)phenyl]methyl-[(3S)-1-(2-pyrimidinyl)-3-piperidinyl]ammonium IUPAC Name: [4-methoxy-3-(pyrazol-1-ylmethyl)phenyl]methyl-[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]azanium Traditional Name: [4-methoxy-3-(pyrazol-1-ylmethyl)benzyl]-[(3S)-1-(2-pyrimidyl)-3-piperidyl]ammonium Formula: C21H27N6O+ MolecularWeight: 379.47868

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C[NH2+]C2CCCN(C2)C3=NC=CC=N3)CN4C=CC=N4

Isomeric SMILES

COC1=C(C=C(C=C1)C[NH2+][C@H]2CCCN(C2)C3=NC=CC=N3)CN4C=CC=N4

InChI

InChI=1S/C21H26N6O/c1-28-20-7-6-17(13-18(20)15-27-12-4-10-25-27)14-24-19-5-2-11-26(16-19)21-22-8-3-9-23-21/h3-4,6-10,12-13,19,24H,2,5,11,14-16H2,1H3/p+1/t19-/m0/s1