[3-[[3-(2-acetamidoethyl)-1H-indol-5-yl]oxy]-2-oxidanyl-propyl]-propan-2-yl-azanium benzoate

Systemtic Name: [3-[[3-(2-acetamidoethyl)-1H-indol-5-yl]oxy]-2-oxidanyl-propyl]-propan-2-yl-azanium benzoate Openeye Name: [3-[[3-(2-acetamidoethyl)-1H-indol-5-yl]oxy]-2-hydroxy-propyl]-isopropyl-ammonium benzoate CAS Name: [3-[[3-(2-acetamidoethyl)-1H-indol-5-yl]oxy]-2-hydroxypropyl]-propan-2-ylammonium benzoate IUPAC Name: [3-[[3-(2-acetamidoethyl)-1H-indol-5-yl]oxy]-2-hydroxypropyl]-propan-2-ylazanium benzoate Traditional Name: [3-[[3-(2-acetamidoethyl)-1H-indol-5-yl]oxy]-2-hydroxy-propyl]-isopropyl-ammonium benzoate Formula: C25H33N3O5 MolecularWeight: 455.54662

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)[NH2+]CC(COC1=CC2=C(C=C1)NC=C2CCNC(=O)C)O.C1=CC=C(C=C1)C(=O)[O-]

Isomeric SMILES

CC(C)[NH2+]CC(COC1=CC2=C(C=C1)NC=C2CCNC(=O)C)O.C1=CC=C(C=C1)C(=O)[O-]

InChI

InChI=1S/C18H27N3O3.C7H6O2/c1-12(2)20-10-15(23)11-24-16-4-5-18-17(8-16)14(9-21-18)6-7-19-13(3)22;8-7(9)6-4-2-1-3-5-6/h4-5,8-9,12,15,20-21,23H,6-7,10-11H2,1-3H3,(H,19,22);1-5H,(H,8,9)