2-[1-[[2-(4-methylphenyl)phenyl]methoxy]piperidin-1-ium-1-yl]butanoate

Systemtic Name: 2-[1-[[2-(4-methylphenyl)phenyl]methoxy]piperidin-1-ium-1-yl]butanoate Openeye Name: 2-[1-[[2-(p-tolyl)phenyl]methoxy]piperidin-1-ium-1-yl]butanoate CAS Name: 2-[1-[[2-(4-methylphenyl)phenyl]methoxy]-1-piperidin-1-iumyl]butanoate IUPAC Name: 2-[1-[[2-(4-methylphenyl)phenyl]methoxy]piperidin-1-ium-1-yl]butanoate Traditional Name: 2-[1-[2-(p-tolyl)benzyl]oxypiperidin-1-ium-1-yl]butyrate Formula: C23H29NO3 MolecularWeight: 367.48126

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)[O-])[N+]1(CCCCC1)OCC2=CC=CC=C2C3=CC=C(C=C3)C

Isomeric SMILES

CCC(C(=O)[O-])[N+]1(CCCCC1)OCC2=CC=CC=C2C3=CC=C(C=C3)C

InChI

InChI=1S/C23H29NO3/c1-3-22(23(25)26)24(15-7-4-8-16-24)27-17-20-9-5-6-10-21(20)19-13-11-18(2)12-14-19/h5-6,9-14,22H,3-4,7-8,15-17H2,1-2H3