1-[2-methyl-5-[(2S)-3-(4-methylpiperidin-1-ium-1-yl)-2-oxidanyl-propoxy]-1-phenyl-indol-3-yl]ethanone

Systemtic Name: 1-[2-methyl-5-[(2S)-3-(4-methylpiperidin-1-ium-1-yl)-2-oxidanyl-propoxy]-1-phenyl-indol-3-yl]ethanone Openeye Name: 1-[5-[(2S)-2-hydroxy-3-(4-methylpiperidin-1-ium-1-yl)propoxy]-2-methyl-1-phenyl-indol-3-yl]ethanone CAS Name: 1-[5-[(2S)-2-hydroxy-3-(4-methyl-1-piperidin-1-iumyl)propoxy]-2-methyl-1-phenyl-3-indolyl]ethanone IUPAC Name: 1-[5-[(2S)-2-hydroxy-3-(4-methylpiperidin-1-ium-1-yl)propoxy]-2-methyl-1-phenylindol-3-yl]ethanone Traditional Name: 1-[5-[(2S)-2-hydroxy-3-(4-methylpiperidin-1-ium-1-yl)propoxy]-2-methyl-1-phenyl-indol-3-yl]ethanone Formula: C26H33N2O3+ MolecularWeight: 421.55182

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC[NH+](CC1)CC(COC2=CC3=C(C=C2)N(C(=C3C(=O)C)C)C4=CC=CC=C4)O

Isomeric SMILES

CC1CC[NH+](CC1)C[C@@H](COC2=CC3=C(C=C2)N(C(=C3C(=O)C)C)C4=CC=CC=C4)O

InChI

InChI=1S/C26H32N2O3/c1-18-11-13-27(14-12-18)16-22(30)17-31-23-9-10-25-24(15-23)26(20(3)29)19(2)28(25)21-7-5-4-6-8-21/h4-10,15,18,22,30H,11-14,16-17H2,1-3H3/p+1/t22-/m0/s1