ethyl 1-[2-[4-(1,3-benzodioxol-5-yl)-2-[[(3S)-3-methylpiperidin-1-ium-1-yl]methyl]phenoxy]ethanoyl]piperidine-4-carboxylate

Systemtic Name: ethyl 1-[2-[4-(1,3-benzodioxol-5-yl)-2-[[(3S)-3-methylpiperidin-1-ium-1-yl]methyl]phenoxy]ethanoyl]piperidine-4-carboxylate Openeye Name: ethyl 1-[2-[4-(1,3-benzodioxol-5-yl)-2-[[(3S)-3-methylpiperidin-1-ium-1-yl]methyl]phenoxy]acetyl]piperidine-4-carboxylate CAS Name: 1-[2-[4-(1,3-benzodioxol-5-yl)-2-[[(3S)-3-methyl-1-piperidin-1-iumyl]methyl]phenoxy]-1-oxoethyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[2-[4-(1,3-benzodioxol-5-yl)-2-[[(3S)-3-methylpiperidin-1-ium-1-yl]methyl]phenoxy]acetyl]piperidine-4-carboxylate Traditional Name: 1-[2-[4-(1,3-benzodioxol-5-yl)-2-[[(3S)-3-methylpiperidin-1-ium-1-yl]methyl]phenoxy]acetyl]isonipecotic acid ethyl ester Formula: C30H39N2O6+ MolecularWeight: 523.64046

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C(=O)COC2=C(C=C(C=C2)C3=CC4=C(C=C3)OCO4)C[NH+]5CCCC(C5)C

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C(=O)COC2=C(C=C(C=C2)C3=CC4=C(C=C3)OCO4)C[NH+]5CCC[C@@H](C5)C

InChI

InChI=1S/C30H38N2O6/c1-3-35-30(34)22-10-13-32(14-11-22)29(33)19-36-26-8-6-23(24-7-9-27-28(16-24)38-20-37-27)15-25(26)18-31-12-4-5-21(2)17-31/h6-9,15-16,21-22H,3-5,10-14,17-20H2,1-2H3/p+1/t21-/m0/s1