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

Systemtic Name: cyclohexyl-[(2S)-3-[3-ethoxycarbonyl-2-methyl-1-(4-methylphenyl)indol-5-yl]oxy-2-oxidanyl-propyl]azanium Openeye Name: cyclohexyl-[(2S)-3-[3-ethoxycarbonyl-2-methyl-1-(p-tolyl)indol-5-yl]oxy-2-hydroxy-propyl]ammonium CAS Name: cyclohexyl-[(2S)-3-[[3-ethoxycarbonyl-2-methyl-1-(4-methylphenyl)-5-indolyl]oxy]-2-hydroxypropyl]ammonium IUPAC Name: cyclohexyl-[(2S)-3-[3-ethoxycarbonyl-2-methyl-1-(4-methylphenyl)indol-5-yl]oxy-2-hydroxypropyl]azanium Traditional Name: [(2S)-3-[3-carbethoxy-2-methyl-1-(p-tolyl)indol-5-yl]oxy-2-hydroxy-propyl]-cyclohexyl-ammonium Formula: C28H37N2O4+ MolecularWeight: 465.60438

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C2=C1C=C(C=C2)OCC(C[NH2+]C3CCCCC3)O)C4=CC=C(C=C4)C)C

Isomeric SMILES

CCOC(=O)C1=C(N(C2=C1C=C(C=C2)OC[C@H](C[NH2+]C3CCCCC3)O)C4=CC=C(C=C4)C)C

InChI

InChI=1S/C28H36N2O4/c1-4-33-28(32)27-20(3)30(22-12-10-19(2)11-13-22)26-15-14-24(16-25(26)27)34-18-23(31)17-29-21-8-6-5-7-9-21/h10-16,21,23,29,31H,4-9,17-18H2,1-3H3/p+1/t23-/m0/s1