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

Systemtic Name: (6-chloranyl-2H-chromen-3-yl)methyl-[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]azanium Openeye Name: (6-chloro-2H-chromen-3-yl)methyl-[(3S)-1-pyrimidin-2-yl-3-piperidyl]ammonium CAS Name: (6-chloro-2H-1-benzopyran-3-yl)methyl-[(3S)-1-(2-pyrimidinyl)-3-piperidinyl]ammonium IUPAC Name: (6-chloro-2H-chromen-3-yl)methyl-[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]azanium Traditional Name: (6-chloro-2H-chromen-3-yl)methyl-[(3S)-1-(2-pyrimidyl)-3-piperidyl]ammonium Formula: C19H22ClN4O+ MolecularWeight: 357.85718

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C2=NC=CC=N2)[NH2+]CC3=CC4=C(C=CC(=C4)Cl)OC3

Isomeric SMILES

C1C[C@@H](CN(C1)C2=NC=CC=N2)[NH2+]CC3=CC4=C(C=CC(=C4)Cl)OC3

InChI

InChI=1S/C19H21ClN4O/c20-16-4-5-18-15(10-16)9-14(13-25-18)11-23-17-3-1-8-24(12-17)19-21-6-2-7-22-19/h2,4-7,9-10,17,23H,1,3,8,11-13H2/p+1/t17-/m0/s1