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

Systemtic Name: 1-[2-methyl-5-[(2S)-2-oxidanyl-3-piperidin-1-ium-1-yl-propoxy]-1-phenyl-indol-3-yl]ethanone Openeye Name: 1-[5-[(2S)-2-hydroxy-3-piperidin-1-ium-1-yl-propoxy]-2-methyl-1-phenyl-indol-3-yl]ethanone CAS Name: 1-[5-[(2S)-2-hydroxy-3-(1-piperidin-1-iumyl)propoxy]-2-methyl-1-phenyl-3-indolyl]ethanone IUPAC Name: 1-[5-[(2S)-2-hydroxy-3-piperidin-1-ium-1-ylpropoxy]-2-methyl-1-phenylindol-3-yl]ethanone Traditional Name: 1-[5-[(2S)-2-hydroxy-3-piperidin-1-ium-1-yl-propoxy]-2-methyl-1-phenyl-indol-3-yl]ethanone Formula: C25H31N2O3+ MolecularWeight: 407.52524

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(N1C3=CC=CC=C3)C=CC(=C2)OCC(C[NH+]4CCCCC4)O)C(=O)C

Isomeric SMILES

CC1=C(C2=C(N1C3=CC=CC=C3)C=CC(=C2)OC[C@H](C[NH+]4CCCCC4)O)C(=O)C

InChI

InChI=1S/C25H30N2O3/c1-18-25(19(2)28)23-15-22(30-17-21(29)16-26-13-7-4-8-14-26)11-12-24(23)27(18)20-9-5-3-6-10-20/h3,5-6,9-12,15,21,29H,4,7-8,13-14,16-17H2,1-2H3/p+1/t21-/m0/s1