[(2R)-3-(3-ethanoyl-1-ethyl-2-methyl-indol-5-yl)oxy-2-oxidanyl-propyl]-(furan-2-ylmethyl)azanium

Systemtic Name: [(2R)-3-(3-ethanoyl-1-ethyl-2-methyl-indol-5-yl)oxy-2-oxidanyl-propyl]-(furan-2-ylmethyl)azanium Openeye Name: [(2R)-3-(3-acetyl-1-ethyl-2-methyl-indol-5-yl)oxy-2-hydroxy-propyl]-(2-furylmethyl)ammonium CAS Name: [(2R)-3-[(3-acetyl-1-ethyl-2-methyl-5-indolyl)oxy]-2-hydroxypropyl]-(2-furanylmethyl)ammonium IUPAC Name: [(2R)-3-(3-acetyl-1-ethyl-2-methylindol-5-yl)oxy-2-hydroxypropyl]-(furan-2-ylmethyl)azanium Traditional Name: [(2R)-3-(3-acetyl-1-ethyl-2-methyl-indol-5-yl)oxy-2-hydroxy-propyl]-(2-furfuryl)ammonium Formula: C21H27N2O4+ MolecularWeight: 371.45008

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=C(C2=C1C=CC(=C2)OCC(C[NH2+]CC3=CC=CO3)O)C(=O)C)C

Isomeric SMILES

CCN1C(=C(C2=C1C=CC(=C2)OC[C@@H](C[NH2+]CC3=CC=CO3)O)C(=O)C)C

InChI

InChI=1S/C21H26N2O4/c1-4-23-14(2)21(15(3)24)19-10-17(7-8-20(19)23)27-13-16(25)11-22-12-18-6-5-9-26-18/h5-10,16,22,25H,4,11-13H2,1-3H3/p+1/t16-/m1/s1