2-dimethylaminoethyl-[(2S)-3-[(3-ethoxycarbonyl-2-phenyl-1-benzofuran-5-yl)oxy]-2-oxidanyl-propyl]azanium

Systemtic Name: 2-dimethylaminoethyl-[(2S)-3-[(3-ethoxycarbonyl-2-phenyl-1-benzofuran-5-yl)oxy]-2-oxidanyl-propyl]azanium Openeye Name: 2-dimethylaminoethyl-[(2S)-3-(3-ethoxycarbonyl-2-phenyl-benzofuran-5-yl)oxy-2-hydroxy-propyl]ammonium CAS Name: 2-dimethylaminoethyl-[(2S)-3-[(3-ethoxycarbonyl-2-phenyl-5-benzofuranyl)oxy]-2-hydroxypropyl]ammonium IUPAC Name: 2-dimethylaminoethyl-[(2S)-3-[(3-ethoxycarbonyl-2-phenyl-1-benzofuran-5-yl)oxy]-2-hydroxypropyl]azanium Traditional Name: [(2S)-3-(3-carbethoxy-2-phenyl-benzofuran-5-yl)oxy-2-hydroxy-propyl]-(2-dimethylaminoethyl)ammonium Formula: C24H31N2O5+ MolecularWeight: 427.51334

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(OC2=C1C=C(C=C2)OCC(C[NH2+]CCN(C)C)O)C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=C(OC2=C1C=C(C=C2)OC[C@H](C[NH2+]CCN(C)C)O)C3=CC=CC=C3

InChI

InChI=1S/C24H30N2O5/c1-4-29-24(28)22-20-14-19(30-16-18(27)15-25-12-13-26(2)3)10-11-21(20)31-23(22)17-8-6-5-7-9-17/h5-11,14,18,25,27H,4,12-13,15-16H2,1-3H3/p+1/t18-/m0/s1