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

Systemtic Name: [(2S)-3-[3-ethoxycarbonyl-2-methyl-1-(phenylmethyl)indol-5-yl]oxy-2-oxidanyl-propyl]-(phenylmethyl)azanium Openeye Name: benzyl-[(2S)-3-(1-benzyl-3-ethoxycarbonyl-2-methyl-indol-5-yl)oxy-2-hydroxy-propyl]ammonium CAS Name: [(2S)-3-[[3-ethoxycarbonyl-2-methyl-1-(phenylmethyl)-5-indolyl]oxy]-2-hydroxypropyl]-(phenylmethyl)ammonium IUPAC Name: benzyl-[(2S)-3-(1-benzyl-3-ethoxycarbonyl-2-methylindol-5-yl)oxy-2-hydroxypropyl]azanium Traditional Name: benzyl-[(2S)-3-(1-benzyl-3-carbethoxy-2-methyl-indol-5-yl)oxy-2-hydroxy-propyl]ammonium Formula: C29H33N2O4+ MolecularWeight: 473.58332

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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=CC=C3)O)CC4=CC=CC=C4)C

Isomeric SMILES

CCOC(=O)C1=C(N(C2=C1C=C(C=C2)OC[C@H](C[NH2+]CC3=CC=CC=C3)O)CC4=CC=CC=C4)C

InChI

InChI=1S/C29H32N2O4/c1-3-34-29(33)28-21(2)31(19-23-12-8-5-9-13-23)27-15-14-25(16-26(27)28)35-20-24(32)18-30-17-22-10-6-4-7-11-22/h4-16,24,30,32H,3,17-20H2,1-2H3/p+1/t24-/m0/s1