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

Systemtic Name: [(2S)-3-(1H-indol-3-yl)-1-oxidanylidene-1-[(4-pyrrolidin-1-ylphenyl)amino]propan-2-yl]azanium Openeye Name: [(1S)-1-(1H-indol-3-ylmethyl)-2-oxo-2-(4-pyrrolidin-1-ylanilino)ethyl]ammonium CAS Name: [(2S)-3-(1H-indol-3-yl)-1-oxo-1-[4-(1-pyrrolidinyl)anilino]propan-2-yl]ammonium IUPAC Name: [(2S)-3-(1H-indol-3-yl)-1-oxo-1-(4-pyrrolidin-1-ylanilino)propan-2-yl]azanium Traditional Name: [(1S)-1-(1H-indol-3-ylmethyl)-2-keto-2-(4-pyrrolidinoanilino)ethyl]ammonium Formula: C21H25N4O+ MolecularWeight: 349.4494

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=CC=C(C=C2)NC(=O)C(CC3=CNC4=CC=CC=C43)[NH3+]

Isomeric SMILES

C1CCN(C1)C2=CC=C(C=C2)NC(=O)[C@H](CC3=CNC4=CC=CC=C43)[NH3+]

InChI

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