ethyl 1-[1-(naphthalen-1-ylmethyl)piperidin-1-ium-4-yl]carbonylpiperidine-4-carboxylate

Systemtic Name: ethyl 1-[1-(naphthalen-1-ylmethyl)piperidin-1-ium-4-yl]carbonylpiperidine-4-carboxylate Openeye Name: ethyl 1-[1-(1-naphthylmethyl)piperidin-1-ium-4-carbonyl]piperidine-4-carboxylate CAS Name: 1-[[1-(1-naphthalenylmethyl)-4-piperidin-1-iumyl]-oxomethyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[1-(naphthalen-1-ylmethyl)piperidin-1-ium-4-carbonyl]piperidine-4-carboxylate Traditional Name: 1-[1-(1-naphthylmethyl)piperidin-1-ium-4-carbonyl]isonipecotic acid ethyl ester Formula: C25H33N2O3+ MolecularWeight: 409.54112

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C(=O)C2CC[NH+](CC2)CC3=CC=CC4=CC=CC=C43

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C(=O)C2CC[NH+](CC2)CC3=CC=CC4=CC=CC=C43

InChI

InChI=1S/C25H32N2O3/c1-2-30-25(29)21-12-16-27(17-13-21)24(28)20-10-14-26(15-11-20)18-22-8-5-7-19-6-3-4-9-23(19)22/h3-9,20-21H,2,10-18H2,1H3/p+1