ethyl 1-[1-(diphenylmethyl)azetidin-1-ium-3-yl]carbonylpiperidine-4-carboxylate

Systemtic Name: ethyl 1-[1-(diphenylmethyl)azetidin-1-ium-3-yl]carbonylpiperidine-4-carboxylate Openeye Name: ethyl 1-(1-benzhydrylazetidin-1-ium-3-carbonyl)piperidine-4-carboxylate CAS Name: 1-[[1-(diphenylmethyl)-3-azetidin-1-iumyl]-oxomethyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-(1-benzhydrylazetidin-1-ium-3-carbonyl)piperidine-4-carboxylate Traditional Name: 1-(1-benzhydrylazetidin-1-ium-3-carbonyl)isonipecotic acid ethyl ester Formula: C25H31N2O3+ MolecularWeight: 407.52524

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C(=O)C2C[NH+](C2)C(C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C(=O)C2C[NH+](C2)C(C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C25H30N2O3/c1-2-30-25(29)21-13-15-26(16-14-21)24(28)22-17-27(18-22)23(19-9-5-3-6-10-19)20-11-7-4-8-12-20/h3-12,21-23H,2,13-18H2,1H3/p+1