4-[(3S)-3-[(4-thiophen-3-yl-1,2,3-triazol-1-yl)methyl]piperidin-1-yl]pyrimidin-1-ium-2-amine

Systemtic Name: 4-[(3S)-3-[(4-thiophen-3-yl-1,2,3-triazol-1-yl)methyl]piperidin-1-yl]pyrimidin-1-ium-2-amine Openeye Name: 4-[(3S)-3-[[4-(3-thienyl)triazol-1-yl]methyl]-1-piperidyl]pyrimidin-1-ium-2-amine CAS Name: 4-[(3S)-3-[[4-(3-thiophenyl)-1-triazolyl]methyl]-1-piperidinyl]-2-pyrimidin-1-iumamine IUPAC Name: 4-[(3S)-3-[(4-thiophen-3-yltriazol-1-yl)methyl]piperidin-1-yl]pyrimidin-1-ium-2-amine Traditional Name: [4-[(3S)-3-[[4-(3-thienyl)triazol-1-yl]methyl]piperidino]pyrimidin-1-ium-2-yl]amine Formula: C16H20N7S+ MolecularWeight: 342.4419

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C2=NC(=[NH+]C=C2)N)CN3C=C(N=N3)C4=CSC=C4

Isomeric SMILES

C1C[C@@H](CN(C1)C2=NC(=[NH+]C=C2)N)CN3C=C(N=N3)C4=CSC=C4

InChI

InChI=1S/C16H19N7S/c17-16-18-5-3-15(19-16)22-6-1-2-12(8-22)9-23-10-14(20-21-23)13-4-7-24-11-13/h3-5,7,10-12H,1-2,6,8-9H2,(H2,17,18,19)/p+1/t12-/m0/s1