dibutyl-[(2S)-3-(3-methanoylindol-1-yl)-2-oxidanyl-propyl]azanium

Systemtic Name: dibutyl-[(2S)-3-(3-methanoylindol-1-yl)-2-oxidanyl-propyl]azanium Openeye Name: dibutyl-[(2S)-3-(3-formylindol-1-yl)-2-hydroxy-propyl]ammonium CAS Name: dibutyl-[(2S)-3-(3-formyl-1-indolyl)-2-hydroxypropyl]ammonium IUPAC Name: dibutyl-[(2S)-3-(3-formylindol-1-yl)-2-hydroxypropyl]azanium Traditional Name: dibutyl-[(2S)-3-(3-formylindol-1-yl)-2-hydroxy-propyl]ammonium Formula: C20H31N2O2+ MolecularWeight: 331.47234

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H30N2O2/c1-3-5-11-21(12-6-4-2)14-18(24)15-22-13-17(16-23)19-9-7-8-10-20(19)22/h7-10,13,16,18,24H,3-6,11-12,14-15H2,1-2H3/p+1/t18-/m1/s1