[(2S)-1-(pyren-1-ylmethyl)piperidin-1-ium-2-yl]methanol

Systemtic Name: [(2S)-1-(pyren-1-ylmethyl)piperidin-1-ium-2-yl]methanol Openeye Name: [(2S)-1-(pyren-1-ylmethyl)piperidin-1-ium-2-yl]methanol CAS Name: [(2S)-1-(1-pyrenylmethyl)-2-piperidin-1-iumyl]methanol IUPAC Name: [(2S)-1-(pyren-1-ylmethyl)piperidin-1-ium-2-yl]methanol Traditional Name: [(2S)-1-(pyren-1-ylmethyl)piperidin-1-ium-2-yl]methanol Formula: C23H24NO+ MolecularWeight: 330.44276

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C(C1)CO)CC2=C3C=CC4=CC=CC5=C4C3=C(C=C5)C=C2

Isomeric SMILES

C1CC[NH+]([C@@H](C1)CO)CC2=C3C=CC4=CC=CC5=C4C3=C(C=C5)C=C2

InChI

InChI=1S/C23H23NO/c25-15-20-6-1-2-13-24(20)14-19-10-9-18-8-7-16-4-3-5-17-11-12-21(19)23(18)22(16)17/h3-5,7-12,20,25H,1-2,6,13-15H2/p+1/t20-/m0/s1