3-[(2S)-1-(pyren-1-ylmethyl)piperidin-1-ium-2-yl]pyridine

Systemtic Name: 3-[(2S)-1-(pyren-1-ylmethyl)piperidin-1-ium-2-yl]pyridine Openeye Name: 3-[(2S)-1-(pyren-1-ylmethyl)piperidin-1-ium-2-yl]pyridine CAS Name: 3-[(2S)-1-(1-pyrenylmethyl)-2-piperidin-1-iumyl]pyridine IUPAC Name: 3-[(2S)-1-(pyren-1-ylmethyl)piperidin-1-ium-2-yl]pyridine Traditional Name: 3-[(2S)-1-(pyren-1-ylmethyl)piperidin-1-ium-2-yl]pyridine Formula: C27H25N2+ MolecularWeight: 377.5008

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C(C1)C2=CN=CC=C2)CC3=C4C=CC5=CC=CC6=C5C4=C(C=C6)C=C3

Isomeric SMILES

C1CC[NH+]([C@@H](C1)C2=CN=CC=C2)CC3=C4C=CC5=CC=CC6=C5C4=C(C=C6)C=C3

InChI

InChI=1S/C27H24N2/c1-2-16-29(25(8-1)22-7-4-15-28-17-22)18-23-12-11-21-10-9-19-5-3-6-20-13-14-24(23)27(21)26(19)20/h3-7,9-15,17,25H,1-2,8,16,18H2/p+1/t25-/m0/s1