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

Systemtic Name: (5-chloranylthiophen-2-yl)methyl-[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]azanium Openeye Name: (5-chloro-2-thienyl)methyl-[(3S)-1-pyrimidin-2-yl-3-piperidyl]ammonium CAS Name: (5-chloro-2-thiophenyl)methyl-[(3S)-1-(2-pyrimidinyl)-3-piperidinyl]ammonium IUPAC Name: (5-chlorothiophen-2-yl)methyl-[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]azanium Traditional Name: (5-chloro-2-thienyl)methyl-[(3S)-1-(2-pyrimidyl)-3-piperidyl]ammonium Formula: C14H18ClN4S+ MolecularWeight: 309.83752

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C2=NC=CC=N2)[NH2+]CC3=CC=C(S3)Cl

Isomeric SMILES

C1C[C@@H](CN(C1)C2=NC=CC=N2)[NH2+]CC3=CC=C(S3)Cl

InChI

InChI=1S/C14H17ClN4S/c15-13-5-4-12(20-13)9-18-11-3-1-8-19(10-11)14-16-6-2-7-17-14/h2,4-7,11,18H,1,3,8-10H2/p+1/t11-/m0/s1