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

Systemtic Name: [3-(3-ethoxycarbonyl-1,2-dimethyl-indol-5-yl)oxy-2-oxidanyl-propyl]-(furan-2-ylmethyl)azanium Openeye Name: [3-(3-ethoxycarbonyl-1,2-dimethyl-indol-5-yl)oxy-2-hydroxy-propyl]-(2-furylmethyl)ammonium CAS Name: [3-[(3-ethoxycarbonyl-1,2-dimethyl-5-indolyl)oxy]-2-hydroxypropyl]-(2-furanylmethyl)ammonium IUPAC Name: [3-(3-ethoxycarbonyl-1,2-dimethylindol-5-yl)oxy-2-hydroxypropyl]-(furan-2-ylmethyl)azanium Traditional Name: [3-(3-carbethoxy-1,2-dimethyl-indol-5-yl)oxy-2-hydroxy-propyl]-(2-furfuryl)ammonium Formula: C21H27N2O5+ MolecularWeight: 387.44948

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C2=C1C=C(C=C2)OCC(C[NH2+]CC3=CC=CO3)O)C)C

Isomeric SMILES

CCOC(=O)C1=C(N(C2=C1C=C(C=C2)OCC(C[NH2+]CC3=CC=CO3)O)C)C

InChI

InChI=1S/C21H26N2O5/c1-4-26-21(25)20-14(2)23(3)19-8-7-16(10-18(19)20)28-13-15(24)11-22-12-17-6-5-9-27-17/h5-10,15,22,24H,4,11-13H2,1-3H3/p+1