[(2S)-3-(3-ethanoyl-2-methyl-1-phenyl-indol-5-yl)oxy-2-oxidanyl-propyl]-bis(prop-2-enyl)azanium

Systemtic Name: [(2S)-3-(3-ethanoyl-2-methyl-1-phenyl-indol-5-yl)oxy-2-oxidanyl-propyl]-bis(prop-2-enyl)azanium Openeye Name: [(2S)-3-(3-acetyl-2-methyl-1-phenyl-indol-5-yl)oxy-2-hydroxy-propyl]-diallyl-ammonium CAS Name: [(2S)-3-[(3-acetyl-2-methyl-1-phenyl-5-indolyl)oxy]-2-hydroxypropyl]-bis(prop-2-enyl)ammonium IUPAC Name: [(2S)-3-(3-acetyl-2-methyl-1-phenylindol-5-yl)oxy-2-hydroxypropyl]-bis(prop-2-enyl)azanium Traditional Name: [(2S)-3-(3-acetyl-2-methyl-1-phenyl-indol-5-yl)oxy-2-hydroxy-propyl]-diallyl-ammonium Formula: C26H31N2O3+ MolecularWeight: 419.53594

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H30N2O3/c1-5-14-27(15-6-2)17-22(30)18-31-23-12-13-25-24(16-23)26(20(4)29)19(3)28(25)21-10-8-7-9-11-21/h5-13,16,22,30H,1-2,14-15,17-18H2,3-4H3/p+1/t22-/m0/s1