[1-[(3S)-1-[(2-azanylpyrimidin-5-yl)methyl]piperidin-3-yl]piperidin-1-ium-4-yl]methanol

Systemtic Name: [1-[(3S)-1-[(2-azanylpyrimidin-5-yl)methyl]piperidin-3-yl]piperidin-1-ium-4-yl]methanol Openeye Name: [1-[(3S)-1-[(2-aminopyrimidin-5-yl)methyl]-3-piperidyl]piperidin-1-ium-4-yl]methanol CAS Name: [1-[(3S)-1-[(2-amino-5-pyrimidinyl)methyl]-3-piperidinyl]-4-piperidin-1-iumyl]methanol IUPAC Name: [1-[(3S)-1-[(2-aminopyrimidin-5-yl)methyl]piperidin-3-yl]piperidin-1-ium-4-yl]methanol Traditional Name: [1-[(3S)-1-[(2-aminopyrimidin-5-yl)methyl]-3-piperidyl]piperidin-1-ium-4-yl]methanol Formula: C16H28N5O+ MolecularWeight: 306.42642

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)CC2=CN=C(N=C2)N)[NH+]3CCC(CC3)CO

Isomeric SMILES

C1C[C@@H](CN(C1)CC2=CN=C(N=C2)N)[NH+]3CCC(CC3)CO

InChI

InChI=1S/C16H27N5O/c17-16-18-8-14(9-19-16)10-20-5-1-2-15(11-20)21-6-3-13(12-22)4-7-21/h8-9,13,15,22H,1-7,10-12H2,(H2,17,18,19)/p+1/t15-/m0/s1