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

Systemtic Name: dibutyl-[(2S)-2-oxidanyl-3-[3-[(E)-3-oxidanylidene-3-thiophen-2-yl-prop-1-enyl]indol-1-yl]propyl]azanium Openeye Name: dibutyl-[(2S)-2-hydroxy-3-[3-[(E)-3-oxo-3-(2-thienyl)prop-1-enyl]indol-1-yl]propyl]ammonium CAS Name: dibutyl-[(2S)-2-hydroxy-3-[3-[(E)-3-oxo-3-thiophen-2-ylprop-1-enyl]-1-indolyl]propyl]ammonium IUPAC Name: dibutyl-[(2S)-2-hydroxy-3-[3-[(E)-3-oxo-3-thiophen-2-ylprop-1-enyl]indol-1-yl]propyl]azanium Traditional Name: dibutyl-[(2S)-2-hydroxy-3-[3-[(E)-3-keto-3-(2-thienyl)prop-1-enyl]indol-1-yl]propyl]ammonium Formula: C26H35N2O2S+ MolecularWeight: 439.6333

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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=CS3)O

Isomeric SMILES

CCCC[NH+](CCCC)C[C@H](CN1C=C(C2=CC=CC=C21)/C=C/C(=O)C3=CC=CS3)O

InChI

InChI=1S/C26H34N2O2S/c1-3-5-15-27(16-6-4-2)19-22(29)20-28-18-21(23-10-7-8-11-24(23)28)13-14-25(30)26-12-9-17-31-26/h7-14,17-18,22,29H,3-6,15-16,19-20H2,1-2H3/p+1/b14-13+/t22-/m1/s1