[(2R)-1-[3-ethoxycarbonyl-3-(phenylmethyl)pyrrolidin-1-yl]-3-(1H-indol-3-yl)-1-oxidanylidene-propan-2-yl]azanium chloride

Systemtic Name: [(2R)-1-[3-ethoxycarbonyl-3-(phenylmethyl)pyrrolidin-1-yl]-3-(1H-indol-3-yl)-1-oxidanylidene-propan-2-yl]azanium chloride Openeye Name: [(1R)-2-(3-benzyl-3-ethoxycarbonyl-pyrrolidin-1-yl)-1-(1H-indol-3-ylmethyl)-2-oxo-ethyl]ammonium chloride CAS Name: [(2R)-1-[3-ethoxycarbonyl-3-(phenylmethyl)-1-pyrrolidinyl]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]ammonium chloride IUPAC Name: [(2R)-1-(3-benzyl-3-ethoxycarbonylpyrrolidin-1-yl)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]azanium chloride Traditional Name: [(1R)-2-(3-benzyl-3-carbethoxy-pyrrolidino)-1-(1H-indol-3-ylmethyl)-2-keto-ethyl]ammonium chloride Formula: C25H30ClN3O3 MolecularWeight: 455.977

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CCN(C1)C(=O)C(CC2=CNC3=CC=CC=C32)[NH3+])CC4=CC=CC=C4.[Cl-]

Isomeric SMILES

CCOC(=O)C1(CCN(C1)C(=O)[C@@H](CC2=CNC3=CC=CC=C32)[NH3+])CC4=CC=CC=C4.[Cl-]

InChI

InChI=1S/C25H29N3O3.ClH/c1-2-31-24(30)25(15-18-8-4-3-5-9-18)12-13-28(17-25)23(29)21(26)14-19-16-27-22-11-7-6-10-20(19)22;/h3-11,16,21,27H,2,12-15,17,26H2,1H3;1H/t21-,25?;/m1./s1