[(3S)-1-[2-(4-ethanoylphenoxy)ethanoyl]piperidin-3-yl]-methyl-(phenylmethyl)azanium

Systemtic Name: [(3S)-1-[2-(4-ethanoylphenoxy)ethanoyl]piperidin-3-yl]-methyl-(phenylmethyl)azanium Openeye Name: [(3S)-1-[2-(4-acetylphenoxy)acetyl]-3-piperidyl]-benzyl-methyl-ammonium CAS Name: [(3S)-1-[2-(4-acetylphenoxy)-1-oxoethyl]-3-piperidinyl]-methyl-(phenylmethyl)ammonium IUPAC Name: [(3S)-1-[2-(4-acetylphenoxy)acetyl]piperidin-3-yl]-benzyl-methylazanium Traditional Name: [(3S)-1-[2-(4-acetylphenoxy)acetyl]-3-piperidyl]-benzyl-methyl-ammonium Formula: C23H29N2O3+ MolecularWeight: 381.48796

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)OCC(=O)N2CCCC(C2)[NH+](C)CC3=CC=CC=C3

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)OCC(=O)N2CCC[C@@H](C2)[NH+](C)CC3=CC=CC=C3

InChI

InChI=1S/C23H28N2O3/c1-18(26)20-10-12-22(13-11-20)28-17-23(27)25-14-6-9-21(16-25)24(2)15-19-7-4-3-5-8-19/h3-5,7-8,10-13,21H,6,9,14-17H2,1-2H3/p+1/t21-/m0/s1