(6-chloranyl-1,3-benzodioxol-5-yl)methyl-[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]azanium

Systemtic Name: (6-chloranyl-1,3-benzodioxol-5-yl)methyl-[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]azanium Openeye Name: (6-chloro-1,3-benzodioxol-5-yl)methyl-[(3S)-1-pyrimidin-2-yl-3-piperidyl]ammonium CAS Name: (6-chloro-1,3-benzodioxol-5-yl)methyl-[(3S)-1-(2-pyrimidinyl)-3-piperidinyl]ammonium IUPAC Name: (6-chloro-1,3-benzodioxol-5-yl)methyl-[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]azanium Traditional Name: (6-chloro-1,3-benzodioxol-5-yl)methyl-[(3S)-1-(2-pyrimidyl)-3-piperidyl]ammonium Formula: C17H20ClN4O2+ MolecularWeight: 347.8193

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C2=NC=CC=N2)[NH2+]CC3=CC4=C(C=C3Cl)OCO4

Isomeric SMILES

C1C[C@@H](CN(C1)C2=NC=CC=N2)[NH2+]CC3=CC4=C(C=C3Cl)OCO4

InChI

InChI=1S/C17H19ClN4O2/c18-14-8-16-15(23-11-24-16)7-12(14)9-21-13-3-1-6-22(10-13)17-19-4-2-5-20-17/h2,4-5,7-8,13,21H,1,3,6,9-11H2/p+1/t13-/m0/s1