[(2S)-3-[3-ethoxycarbonyl-2-methyl-1-(4-methylphenyl)indol-5-yl]oxy-2-oxidanyl-propyl]-(3-oxidanylpropyl)azanium

Systemtic Name: [(2S)-3-[3-ethoxycarbonyl-2-methyl-1-(4-methylphenyl)indol-5-yl]oxy-2-oxidanyl-propyl]-(3-oxidanylpropyl)azanium Openeye Name: [(2S)-3-[3-ethoxycarbonyl-2-methyl-1-(p-tolyl)indol-5-yl]oxy-2-hydroxy-propyl]-(3-hydroxypropyl)ammonium CAS Name: [(2S)-3-[[3-ethoxycarbonyl-2-methyl-1-(4-methylphenyl)-5-indolyl]oxy]-2-hydroxypropyl]-(3-hydroxypropyl)ammonium IUPAC Name: [(2S)-3-[3-ethoxycarbonyl-2-methyl-1-(4-methylphenyl)indol-5-yl]oxy-2-hydroxypropyl]-(3-hydroxypropyl)azanium Traditional Name: [(2S)-3-[3-carbethoxy-2-methyl-1-(p-tolyl)indol-5-yl]oxy-2-hydroxy-propyl]-(3-hydroxypropyl)ammonium Formula: C25H33N2O5+ MolecularWeight: 441.53992

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H32N2O5/c1-4-31-25(30)24-18(3)27(19-8-6-17(2)7-9-19)23-11-10-21(14-22(23)24)32-16-20(29)15-26-12-5-13-28/h6-11,14,20,26,28-29H,4-5,12-13,15-16H2,1-3H3/p+1/t20-/m0/s1