[(2S)-1-(4-ethoxycarbonylpiperazin-1-yl)-3-(1H-indol-3-yl)-1-oxidanylidene-propan-2-yl]azanium

Systemtic Name: [(2S)-1-(4-ethoxycarbonylpiperazin-1-yl)-3-(1H-indol-3-yl)-1-oxidanylidene-propan-2-yl]azanium Openeye Name: [(1S)-2-(4-ethoxycarbonylpiperazin-1-yl)-1-(1H-indol-3-ylmethyl)-2-oxo-ethyl]ammonium CAS Name: [(2S)-1-(4-ethoxycarbonyl-1-piperazinyl)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]ammonium IUPAC Name: [(2S)-1-(4-ethoxycarbonylpiperazin-1-yl)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]azanium Traditional Name: [(1S)-2-(4-carbethoxypiperazino)-1-(1H-indol-3-ylmethyl)-2-keto-ethyl]ammonium Formula: C18H25N4O3+ MolecularWeight: 345.4161

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C(=O)C(CC2=CNC3=CC=CC=C32)[NH3+]

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(=O)[C@H](CC2=CNC3=CC=CC=C32)[NH3+]

InChI

InChI=1S/C18H24N4O3/c1-2-25-18(24)22-9-7-21(8-10-22)17(23)15(19)11-13-12-20-16-6-4-3-5-14(13)16/h3-6,12,15,20H,2,7-11,19H2,1H3/p+1/t15-/m0/s1