[3-(3-ethoxycarbonyl-1,2-dimethyl-indol-5-yl)oxy-2-oxidanyl-propyl]-(1-oxidanylbutan-2-yl)azanium

Systemtic Name: [3-(3-ethoxycarbonyl-1,2-dimethyl-indol-5-yl)oxy-2-oxidanyl-propyl]-(1-oxidanylbutan-2-yl)azanium Openeye Name: [3-(3-ethoxycarbonyl-1,2-dimethyl-indol-5-yl)oxy-2-hydroxy-propyl]-[1-(hydroxymethyl)propyl]ammonium CAS Name: [3-[(3-ethoxycarbonyl-1,2-dimethyl-5-indolyl)oxy]-2-hydroxypropyl]-(1-hydroxybutan-2-yl)ammonium IUPAC Name: [3-(3-ethoxycarbonyl-1,2-dimethylindol-5-yl)oxy-2-hydroxypropyl]-(1-hydroxybutan-2-yl)azanium Traditional Name: [3-(3-carbethoxy-1,2-dimethyl-indol-5-yl)oxy-2-hydroxy-propyl]-(1-methylolpropyl)ammonium Formula: C20H31N2O5+ MolecularWeight: 379.47054

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(CO)[NH2+]CC(COC1=CC2=C(C=C1)N(C(=C2C(=O)OCC)C)C)O

Isomeric SMILES

CCC(CO)[NH2+]CC(COC1=CC2=C(C=C1)N(C(=C2C(=O)OCC)C)C)O

InChI

InChI=1S/C20H30N2O5/c1-5-14(11-23)21-10-15(24)12-27-16-7-8-18-17(9-16)19(13(3)22(18)4)20(25)26-6-2/h7-9,14-15,21,23-24H,5-6,10-12H2,1-4H3/p+1