[5-(3-chlorophenyl)furan-2-yl]methyl-[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]azanium

Systemtic Name: [5-(3-chlorophenyl)furan-2-yl]methyl-[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]azanium Openeye Name: [5-(3-chlorophenyl)-2-furyl]methyl-[(3S)-1-pyrimidin-2-yl-3-piperidyl]ammonium CAS Name: [5-(3-chlorophenyl)-2-furanyl]methyl-[(3S)-1-(2-pyrimidinyl)-3-piperidinyl]ammonium IUPAC Name: [5-(3-chlorophenyl)furan-2-yl]methyl-[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]azanium Traditional Name: [5-(3-chlorophenyl)-2-furyl]methyl-[(3S)-1-(2-pyrimidyl)-3-piperidyl]ammonium Formula: C20H22ClN4O+ MolecularWeight: 369.86788

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C2=NC=CC=N2)[NH2+]CC3=CC=C(O3)C4=CC(=CC=C4)Cl

Isomeric SMILES

C1C[C@@H](CN(C1)C2=NC=CC=N2)[NH2+]CC3=CC=C(O3)C4=CC(=CC=C4)Cl

InChI

InChI=1S/C20H21ClN4O/c21-16-5-1-4-15(12-16)19-8-7-18(26-19)13-24-17-6-2-11-25(14-17)20-22-9-3-10-23-20/h1,3-5,7-10,12,17,24H,2,6,11,13-14H2/p+1/t17-/m0/s1