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

Systemtic Name: tert-butyl-[3-[3-ethoxycarbonyl-2-methyl-1-(4-methylphenyl)indol-5-yl]oxy-2-oxidanyl-propyl]azanium Openeye Name: tert-butyl-[3-[3-ethoxycarbonyl-2-methyl-1-(p-tolyl)indol-5-yl]oxy-2-hydroxy-propyl]ammonium CAS Name: tert-butyl-[3-[[3-ethoxycarbonyl-2-methyl-1-(4-methylphenyl)-5-indolyl]oxy]-2-hydroxypropyl]ammonium IUPAC Name: tert-butyl-[3-[3-ethoxycarbonyl-2-methyl-1-(4-methylphenyl)indol-5-yl]oxy-2-hydroxypropyl]azanium Traditional Name: tert-butyl-[3-[3-carbethoxy-2-methyl-1-(p-tolyl)indol-5-yl]oxy-2-hydroxy-propyl]ammonium Formula: C26H35N2O4+ MolecularWeight: 439.5671

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H34N2O4/c1-7-31-25(30)24-18(3)28(19-10-8-17(2)9-11-19)23-13-12-21(14-22(23)24)32-16-20(29)15-27-26(4,5)6/h8-14,20,27,29H,7,15-16H2,1-6H3/p+1