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

Systemtic Name: cyclopentyl-[(2S)-3-[3-ethoxycarbonyl-2-methyl-1-(4-methylphenyl)indol-5-yl]oxy-2-oxidanyl-propyl]azanium Openeye Name: cyclopentyl-[(2S)-3-[3-ethoxycarbonyl-2-methyl-1-(p-tolyl)indol-5-yl]oxy-2-hydroxy-propyl]ammonium CAS Name: cyclopentyl-[(2S)-3-[[3-ethoxycarbonyl-2-methyl-1-(4-methylphenyl)-5-indolyl]oxy]-2-hydroxypropyl]ammonium IUPAC Name: cyclopentyl-[(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]-cyclopentyl-ammonium Formula: C27H35N2O4+ MolecularWeight: 451.5778

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C2=C1C=C(C=C2)OCC(C[NH2+]C3CCCC3)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+]C3CCCC3)O)C4=CC=C(C=C4)C)C

InChI

InChI=1S/C27H34N2O4/c1-4-32-27(31)26-19(3)29(21-11-9-18(2)10-12-21)25-14-13-23(15-24(25)26)33-17-22(30)16-28-20-7-5-6-8-20/h9-15,20,22,28,30H,4-8,16-17H2,1-3H3/p+1/t22-/m0/s1