2-[2-[4-(1,3-dithian-2-yl)phenoxy]ethanoylamino]ethyl-di(propan-2-yl)azanium

Systemtic Name: 2-[2-[4-(1,3-dithian-2-yl)phenoxy]ethanoylamino]ethyl-di(propan-2-yl)azanium Openeye Name: 2-[[2-[4-(1,3-dithian-2-yl)phenoxy]acetyl]amino]ethyl-diisopropyl-ammonium CAS Name: 2-[[2-[4-(1,3-dithian-2-yl)phenoxy]-1-oxoethyl]amino]ethyl-di(propan-2-yl)ammonium IUPAC Name: 2-[[2-[4-(1,3-dithian-2-yl)phenoxy]acetyl]amino]ethyl-di(propan-2-yl)azanium Traditional Name: 2-[[2-[4-(1,3-dithian-2-yl)phenoxy]acetyl]amino]ethyl-diisopropyl-ammonium Formula: C20H33N2O2S2+ MolecularWeight: 397.61822

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)[NH+](CCNC(=O)COC1=CC=C(C=C1)C2SCCCS2)C(C)C

Isomeric SMILES

CC(C)[NH+](CCNC(=O)COC1=CC=C(C=C1)C2SCCCS2)C(C)C

InChI

InChI=1S/C20H32N2O2S2/c1-15(2)22(16(3)4)11-10-21-19(23)14-24-18-8-6-17(7-9-18)20-25-12-5-13-26-20/h6-9,15-16,20H,5,10-14H2,1-4H3,(H,21,23)/p+1