tert-butylazanium; 2-[2-[2-[(4-ethylphenyl)-phenyl-methyl]piperidin-1-yl]-2-oxidanylidene-ethoxy]ethanoate

Systemtic Name: tert-butylazanium; 2-[2-[2-[(4-ethylphenyl)-phenyl-methyl]piperidin-1-yl]-2-oxidanylidene-ethoxy]ethanoate Openeye Name: tert-butylammonium; 2-[2-[2-[(4-ethylphenyl)-phenyl-methyl]-1-piperidyl]-2-oxo-ethoxy]acetate CAS Name: tert-butylammonium; 2-[2-[2-[(4-ethylphenyl)-phenylmethyl]-1-piperidinyl]-2-oxoethoxy]acetate IUPAC Name: tert-butylazanium; 2-[2-[2-[(4-ethylphenyl)-phenylmethyl]piperidin-1-yl]-2-oxoethoxy]acetate Traditional Name: tert-butylammonium; 2-[2-[2-[(4-ethylphenyl)-phenyl-methyl]piperidino]-2-keto-ethoxy]acetate Formula: C28H40N2O4 MolecularWeight: 468.6282

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(C2CCCCN2C(=O)COCC(=O)[O-])C3=CC=CC=C3.CC(C)(C)[NH3+]

Isomeric SMILES

CCC1=CC=C(C=C1)C(C2CCCCN2C(=O)COCC(=O)[O-])C3=CC=CC=C3.CC(C)(C)[NH3+]

InChI

InChI=1S/C24H29NO4.C4H11N/c1-2-18-11-13-20(14-12-18)24(19-8-4-3-5-9-19)21-10-6-7-15-25(21)22(26)16-29-17-23(27)28;1-4(2,3)5/h3-5,8-9,11-14,21,24H,2,6-7,10,15-17H2,1H3,(H,27,28);5H2,1-3H3