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

Systemtic Name: dibutyl-[(2S)-2-oxidanyl-3-[3-[(E)-3-oxidanylidene-3-phenyl-prop-1-enyl]indol-1-yl]propyl]azanium Openeye Name: dibutyl-[(2S)-2-hydroxy-3-[3-[(E)-3-oxo-3-phenyl-prop-1-enyl]indol-1-yl]propyl]ammonium CAS Name: dibutyl-[(2S)-2-hydroxy-3-[3-[(E)-3-oxo-3-phenylprop-1-enyl]-1-indolyl]propyl]ammonium IUPAC Name: dibutyl-[(2S)-2-hydroxy-3-[3-[(E)-3-oxo-3-phenylprop-1-enyl]indol-1-yl]propyl]azanium Traditional Name: dibutyl-[(2S)-2-hydroxy-3-[3-[(E)-3-keto-3-phenyl-prop-1-enyl]indol-1-yl]propyl]ammonium Formula: C28H37N2O2+ MolecularWeight: 433.60558

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H36N2O2/c1-3-5-18-29(19-6-4-2)21-25(31)22-30-20-24(26-14-10-11-15-27(26)30)16-17-28(32)23-12-8-7-9-13-23/h7-17,20,25,31H,3-6,18-19,21-22H2,1-2H3/p+1/b17-16+/t25-/m1/s1