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

Systemtic Name: [3-[3-ethoxycarbonyl-2-methyl-1-(4-methylphenyl)indol-5-yl]oxy-2-oxidanyl-propyl]-phenethyl-azanium Openeye Name: [3-[3-ethoxycarbonyl-2-methyl-1-(p-tolyl)indol-5-yl]oxy-2-hydroxy-propyl]-phenethyl-ammonium CAS Name: [3-[[3-ethoxycarbonyl-2-methyl-1-(4-methylphenyl)-5-indolyl]oxy]-2-hydroxypropyl]-phenethylammonium IUPAC Name: [3-[3-ethoxycarbonyl-2-methyl-1-(4-methylphenyl)indol-5-yl]oxy-2-hydroxypropyl]-phenethylazanium Traditional Name: [3-[3-carbethoxy-2-methyl-1-(p-tolyl)indol-5-yl]oxy-2-hydroxy-propyl]-phenethyl-ammonium Formula: C30H35N2O4+ MolecularWeight: 487.6099

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C2=C1C=C(C=C2)OCC(C[NH2+]CCC3=CC=CC=C3)O)C4=CC=C(C=C4)C)C

Isomeric SMILES

CCOC(=O)C1=C(N(C2=C1C=C(C=C2)OCC(C[NH2+]CCC3=CC=CC=C3)O)C4=CC=C(C=C4)C)C

InChI

InChI=1S/C30H34N2O4/c1-4-35-30(34)29-22(3)32(24-12-10-21(2)11-13-24)28-15-14-26(18-27(28)29)36-20-25(33)19-31-17-16-23-8-6-5-7-9-23/h5-15,18,25,31,33H,4,16-17,19-20H2,1-3H3/p+1