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

Systemtic Name: 1-[2-methyl-5-[(2S)-3-morpholin-4-ium-4-yl-2-oxidanyl-propoxy]-1-phenyl-indol-3-yl]ethanone Openeye Name: 1-[5-[(2S)-2-hydroxy-3-morpholin-4-ium-4-yl-propoxy]-2-methyl-1-phenyl-indol-3-yl]ethanone CAS Name: 1-[5-[(2S)-2-hydroxy-3-(4-morpholin-4-iumyl)propoxy]-2-methyl-1-phenyl-3-indolyl]ethanone IUPAC Name: 1-[5-[(2S)-2-hydroxy-3-morpholin-4-ium-4-ylpropoxy]-2-methyl-1-phenylindol-3-yl]ethanone Traditional Name: 1-[5-[(2S)-2-hydroxy-3-morpholin-4-ium-4-yl-propoxy]-2-methyl-1-phenyl-indol-3-yl]ethanone Formula: C24H29N2O4+ MolecularWeight: 409.49806

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(N1C3=CC=CC=C3)C=CC(=C2)OCC(C[NH+]4CCOCC4)O)C(=O)C

Isomeric SMILES

CC1=C(C2=C(N1C3=CC=CC=C3)C=CC(=C2)OC[C@H](C[NH+]4CCOCC4)O)C(=O)C

InChI

InChI=1S/C24H28N2O4/c1-17-24(18(2)27)22-14-21(30-16-20(28)15-25-10-12-29-13-11-25)8-9-23(22)26(17)19-6-4-3-5-7-19/h3-9,14,20,28H,10-13,15-16H2,1-2H3/p+1/t20-/m0/s1