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

Systemtic Name: [(2S)-2-oxidanyl-3-[3-[(E)-3-oxidanylidene-3-thiophen-2-yl-prop-1-enyl]indol-1-yl]propyl]-dipropyl-azanium Openeye Name: [(2S)-2-hydroxy-3-[3-[(E)-3-oxo-3-(2-thienyl)prop-1-enyl]indol-1-yl]propyl]-dipropyl-ammonium CAS Name: [(2S)-2-hydroxy-3-[3-[(E)-3-oxo-3-thiophen-2-ylprop-1-enyl]-1-indolyl]propyl]-dipropylammonium IUPAC Name: [(2S)-2-hydroxy-3-[3-[(E)-3-oxo-3-thiophen-2-ylprop-1-enyl]indol-1-yl]propyl]-dipropylazanium Traditional Name: [(2S)-2-hydroxy-3-[3-[(E)-3-keto-3-(2-thienyl)prop-1-enyl]indol-1-yl]propyl]-dipropyl-ammonium Formula: C24H31N2O2S+ MolecularWeight: 411.58014

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Descriptors Computed from Structure

Canonical SMILES:

CCC[NH+](CCC)CC(CN1C=C(C2=CC=CC=C21)C=CC(=O)C3=CC=CS3)O

Isomeric SMILES

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

InChI

InChI=1S/C24H30N2O2S/c1-3-13-25(14-4-2)17-20(27)18-26-16-19(21-8-5-6-9-22(21)26)11-12-23(28)24-10-7-15-29-24/h5-12,15-16,20,27H,3-4,13-14,17-18H2,1-2H3/p+1/b12-11+/t20-/m1/s1