[(3S)-1-[(1-methylbenzotriazol-5-yl)methyl]piperidin-1-ium-3-yl]methanol

Systemtic Name: [(3S)-1-[(1-methylbenzotriazol-5-yl)methyl]piperidin-1-ium-3-yl]methanol Openeye Name: [(3S)-1-[(1-methylbenzotriazol-5-yl)methyl]piperidin-1-ium-3-yl]methanol CAS Name: [(3S)-1-[(1-methyl-5-benzotriazolyl)methyl]-3-piperidin-1-iumyl]methanol IUPAC Name: [(3S)-1-[(1-methylbenzotriazol-5-yl)methyl]piperidin-1-ium-3-yl]methanol Traditional Name: [(3S)-1-[(1-methylbenzotriazol-5-yl)methyl]piperidin-1-ium-3-yl]methanol Formula: C14H21N4O+ MolecularWeight: 261.34274

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=C(C=C2)C[NH+]3CCCC(C3)CO)N=N1

Isomeric SMILES

CN1C2=C(C=C(C=C2)C[NH+]3CCC[C@@H](C3)CO)N=N1

InChI

InChI=1S/C14H20N4O/c1-17-14-5-4-11(7-13(14)15-16-17)8-18-6-2-3-12(9-18)10-19/h4-5,7,12,19H,2-3,6,8-10H2,1H3/p+1/t12-/m0/s1