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

Systemtic Name: butyl-methyl-[(2S)-2-oxidanyl-3-[3-[(E)-3-oxidanylidene-3-thiophen-2-yl-prop-1-enyl]indol-1-yl]propyl]azanium Openeye Name: butyl-[(2S)-2-hydroxy-3-[3-[(E)-3-oxo-3-(2-thienyl)prop-1-enyl]indol-1-yl]propyl]-methyl-ammonium CAS Name: butyl-[(2S)-2-hydroxy-3-[3-[(E)-3-oxo-3-thiophen-2-ylprop-1-enyl]-1-indolyl]propyl]-methylammonium IUPAC Name: butyl-[(2S)-2-hydroxy-3-[3-[(E)-3-oxo-3-thiophen-2-ylprop-1-enyl]indol-1-yl]propyl]-methylazanium Traditional Name: butyl-[(2S)-2-hydroxy-3-[3-[(E)-3-keto-3-(2-thienyl)prop-1-enyl]indol-1-yl]propyl]-methyl-ammonium Formula: C23H29N2O2S+ MolecularWeight: 397.55356

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H28N2O2S/c1-3-4-13-24(2)16-19(26)17-25-15-18(20-8-5-6-9-21(20)25)11-12-22(27)23-10-7-14-28-23/h5-12,14-15,19,26H,3-4,13,16-17H2,1-2H3/p+1/b12-11+/t19-/m1/s1