(2S)-2-(5-methoxy-1H-indol-3-yl)-2-[4-(phenylmethyl)piperidin-1-ium-1-yl]ethanoate

Systemtic Name: (2S)-2-(5-methoxy-1H-indol-3-yl)-2-[4-(phenylmethyl)piperidin-1-ium-1-yl]ethanoate Openeye Name: (2S)-2-(4-benzylpiperidin-1-ium-1-yl)-2-(5-methoxy-1H-indol-3-yl)acetate CAS Name: (2S)-2-(5-methoxy-1H-indol-3-yl)-2-[4-(phenylmethyl)-1-piperidin-1-iumyl]acetate IUPAC Name: (2S)-2-(4-benzylpiperidin-1-ium-1-yl)-2-(5-methoxy-1H-indol-3-yl)acetate Traditional Name: (2S)-2-(4-benzylpiperidin-1-ium-1-yl)-2-(5-methoxy-1H-indol-3-yl)acetate Formula: C23H26N2O3 MolecularWeight: 378.46414

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)NC=C2C(C(=O)[O-])[NH+]3CCC(CC3)CC4=CC=CC=C4

Isomeric SMILES

COC1=CC2=C(C=C1)NC=C2[C@@H](C(=O)[O-])[NH+]3CCC(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C23H26N2O3/c1-28-18-7-8-21-19(14-18)20(15-24-21)22(23(26)27)25-11-9-17(10-12-25)13-16-5-3-2-4-6-16/h2-8,14-15,17,22,24H,9-13H2,1H3,(H,26,27)/t22-/m0/s1