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

Systemtic Name: [(2S)-3-[3-ethoxycarbonyl-2-methyl-1-(4-methylphenyl)indol-5-yl]oxy-2-oxidanyl-propyl]-(furan-2-ylmethyl)azanium Openeye Name: [(2S)-3-[3-ethoxycarbonyl-2-methyl-1-(p-tolyl)indol-5-yl]oxy-2-hydroxy-propyl]-(2-furylmethyl)ammonium CAS Name: [(2S)-3-[[3-ethoxycarbonyl-2-methyl-1-(4-methylphenyl)-5-indolyl]oxy]-2-hydroxypropyl]-(2-furanylmethyl)ammonium IUPAC Name: [(2S)-3-[3-ethoxycarbonyl-2-methyl-1-(4-methylphenyl)indol-5-yl]oxy-2-hydroxypropyl]-(furan-2-ylmethyl)azanium Traditional Name: [(2S)-3-[3-carbethoxy-2-methyl-1-(p-tolyl)indol-5-yl]oxy-2-hydroxy-propyl]-(2-furfuryl)ammonium Formula: C27H31N2O5+ MolecularWeight: 463.54544

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C2=C1C=C(C=C2)OCC(C[NH2+]CC3=CC=CO3)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+]CC3=CC=CO3)O)C4=CC=C(C=C4)C)C

InChI

InChI=1S/C27H30N2O5/c1-4-32-27(31)26-19(3)29(20-9-7-18(2)8-10-20)25-12-11-22(14-24(25)26)34-17-21(30)15-28-16-23-6-5-13-33-23/h5-14,21,28,30H,4,15-17H2,1-3H3/p+1/t21-/m0/s1