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

Systemtic Name: (2S)-2-(2-methyl-1H-indol-3-yl)-2-[4-(phenylmethyl)piperidin-1-ium-1-yl]ethanoate Openeye Name: (2S)-2-(4-benzylpiperidin-1-ium-1-yl)-2-(2-methyl-1H-indol-3-yl)acetate CAS Name: (2S)-2-(2-methyl-1H-indol-3-yl)-2-[4-(phenylmethyl)-1-piperidin-1-iumyl]acetate IUPAC Name: (2S)-2-(4-benzylpiperidin-1-ium-1-yl)-2-(2-methyl-1H-indol-3-yl)acetate Traditional Name: (2S)-2-(4-benzylpiperidin-1-ium-1-yl)-2-(2-methyl-1H-indol-3-yl)acetate Formula: C23H26N2O2 MolecularWeight: 362.46474

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=CC=CC=C2N1)C(C(=O)[O-])[NH+]3CCC(CC3)CC4=CC=CC=C4

Isomeric SMILES

CC1=C(C2=CC=CC=C2N1)[C@@H](C(=O)[O-])[NH+]3CCC(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C23H26N2O2/c1-16-21(19-9-5-6-10-20(19)24-16)22(23(26)27)25-13-11-18(12-14-25)15-17-7-3-2-4-8-17/h2-10,18,22,24H,11-15H2,1H3,(H,26,27)/t22-/m0/s1