2-[(3S)-3-ethoxycarbonyl-2-oxidanylidene-3-(phenylmethyl)indol-1-yl]ethyl-diethyl-azanium

Systemtic Name: 2-[(3S)-3-ethoxycarbonyl-2-oxidanylidene-3-(phenylmethyl)indol-1-yl]ethyl-diethyl-azanium Openeye Name: 2-[(3S)-3-benzyl-3-ethoxycarbonyl-2-oxo-indolin-1-yl]ethyl-diethyl-ammonium CAS Name: 2-[(3S)-3-ethoxycarbonyl-2-oxo-3-(phenylmethyl)-1-indolyl]ethyl-diethylammonium IUPAC Name: 2-[(3S)-3-benzyl-3-ethoxycarbonyl-2-oxoindol-1-yl]ethyl-diethylazanium Traditional Name: 2-[(3S)-3-benzyl-3-carbethoxy-2-keto-indolin-1-yl]ethyl-diethyl-ammonium Formula: C24H31N2O3+ MolecularWeight: 395.51454

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCN1C2=CC=CC=C2C(C1=O)(CC3=CC=CC=C3)C(=O)OCC

Isomeric SMILES

CC[NH+](CC)CCN1C2=CC=CC=C2[C@](C1=O)(CC3=CC=CC=C3)C(=O)OCC

InChI

InChI=1S/C24H30N2O3/c1-4-25(5-2)16-17-26-21-15-11-10-14-20(21)24(22(26)27,23(28)29-6-3)18-19-12-8-7-9-13-19/h7-15H,4-6,16-18H2,1-3H3/p+1/t24-/m0/s1