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

Systemtic Name: [(2S)-3-(1H-indol-3-yl)-1-oxidanylidene-1-(4-phenylpiperazin-1-yl)propan-2-yl]azanium Openeye Name: [(1S)-1-(1H-indol-3-ylmethyl)-2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]ammonium CAS Name: [(2S)-3-(1H-indol-3-yl)-1-oxo-1-(4-phenyl-1-piperazinyl)propan-2-yl]ammonium IUPAC Name: [(2S)-3-(1H-indol-3-yl)-1-oxo-1-(4-phenylpiperazin-1-yl)propan-2-yl]azanium Traditional Name: [(1S)-1-(1H-indol-3-ylmethyl)-2-keto-2-(4-phenylpiperazino)ethyl]ammonium Formula: C21H25N4O+ MolecularWeight: 349.4494

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=C2)C(=O)C(CC3=CNC4=CC=CC=C43)[NH3+]

Isomeric SMILES

C1CN(CCN1C2=CC=CC=C2)C(=O)[C@H](CC3=CNC4=CC=CC=C43)[NH3+]

InChI

InChI=1S/C21H24N4O/c22-19(14-16-15-23-20-9-5-4-8-18(16)20)21(26)25-12-10-24(11-13-25)17-6-2-1-3-7-17/h1-9,15,19,23H,10-14,22H2/p+1/t19-/m0/s1