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

Systemtic Name: [(2S)-3-(3-ethoxycarbonyl-1,2-dimethyl-indol-5-yl)oxy-2-oxidanyl-propyl]-phenyl-azanium Openeye Name: [(2S)-3-(3-ethoxycarbonyl-1,2-dimethyl-indol-5-yl)oxy-2-hydroxy-propyl]-phenyl-ammonium CAS Name: [(2S)-3-[(3-ethoxycarbonyl-1,2-dimethyl-5-indolyl)oxy]-2-hydroxypropyl]-phenylammonium IUPAC Name: [(2S)-3-(3-ethoxycarbonyl-1,2-dimethylindol-5-yl)oxy-2-hydroxypropyl]-phenylazanium Traditional Name: [(2S)-3-(3-carbethoxy-1,2-dimethyl-indol-5-yl)oxy-2-hydroxy-propyl]-phenyl-ammonium Formula: C22H27N2O4+ MolecularWeight: 383.46078

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26N2O4/c1-4-27-22(26)21-15(2)24(3)20-11-10-18(12-19(20)21)28-14-17(25)13-23-16-8-6-5-7-9-16/h5-12,17,23,25H,4,13-14H2,1-3H3/p+1/t17-/m0/s1