ethyl 1-(pyren-1-ylmethyl)piperidin-1-ium-4-carboxylate

Systemtic Name: ethyl 1-(pyren-1-ylmethyl)piperidin-1-ium-4-carboxylate Openeye Name: ethyl 1-(pyren-1-ylmethyl)piperidin-1-ium-4-carboxylate CAS Name: 1-(1-pyrenylmethyl)-4-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 1-(pyren-1-ylmethyl)piperidin-1-ium-4-carboxylate Traditional Name: 1-(pyren-1-ylmethyl)piperidin-1-ium-4-carboxylic acid ethyl ester Formula: C25H26NO2+ MolecularWeight: 372.47944

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CC[NH+](CC1)CC2=C3C=CC4=CC=CC5=C4C3=C(C=C5)C=C2

Isomeric SMILES

CCOC(=O)C1CC[NH+](CC1)CC2=C3C=CC4=CC=CC5=C4C3=C(C=C5)C=C2

InChI

InChI=1S/C25H25NO2/c1-2-28-25(27)20-12-14-26(15-13-20)16-21-9-8-19-7-6-17-4-3-5-18-10-11-22(21)24(19)23(17)18/h3-11,20H,2,12-16H2,1H3/p+1