butyl-methyl-[(2S)-2-oxidanyl-3-[3-[(E)-3-oxidanylidene-3-phenyl-prop-1-enyl]indol-1-yl]propyl]azanium

Systemtic Name: butyl-methyl-[(2S)-2-oxidanyl-3-[3-[(E)-3-oxidanylidene-3-phenyl-prop-1-enyl]indol-1-yl]propyl]azanium Openeye Name: butyl-[(2S)-2-hydroxy-3-[3-[(E)-3-oxo-3-phenyl-prop-1-enyl]indol-1-yl]propyl]-methyl-ammonium CAS Name: butyl-[(2S)-2-hydroxy-3-[3-[(E)-3-oxo-3-phenylprop-1-enyl]-1-indolyl]propyl]-methylammonium IUPAC Name: butyl-[(2S)-2-hydroxy-3-[3-[(E)-3-oxo-3-phenylprop-1-enyl]indol-1-yl]propyl]-methylazanium Traditional Name: butyl-[(2S)-2-hydroxy-3-[3-[(E)-3-keto-3-phenyl-prop-1-enyl]indol-1-yl]propyl]-methyl-ammonium Formula: C25H31N2O2+ MolecularWeight: 391.52584

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[NH+](C)CC(CN1C=C(C2=CC=CC=C21)C=CC(=O)C3=CC=CC=C3)O

Isomeric SMILES

CCCC[NH+](C)C[C@H](CN1C=C(C2=CC=CC=C21)/C=C/C(=O)C3=CC=CC=C3)O

InChI

InChI=1S/C25H30N2O2/c1-3-4-16-26(2)18-22(28)19-27-17-21(23-12-8-9-13-24(23)27)14-15-25(29)20-10-6-5-7-11-20/h5-15,17,22,28H,3-4,16,18-19H2,1-2H3/p+1/b15-14+/t22-/m1/s1