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

Systemtic Name: [(2S)-3-(1H-indol-3-yl)-1-oxidanylidene-1-(4-propan-2-ylpiperazin-1-yl)propan-2-yl]azanium Openeye Name: [(1S)-1-(1H-indol-3-ylmethyl)-2-(4-isopropylpiperazin-1-yl)-2-oxo-ethyl]ammonium CAS Name: [(2S)-3-(1H-indol-3-yl)-1-oxo-1-(4-propan-2-yl-1-piperazinyl)propan-2-yl]ammonium IUPAC Name: [(2S)-3-(1H-indol-3-yl)-1-oxo-1-(4-propan-2-ylpiperazin-1-yl)propan-2-yl]azanium Traditional Name: [(1S)-1-(1H-indol-3-ylmethyl)-2-(4-isopropylpiperazino)-2-keto-ethyl]ammonium Formula: C18H27N4O+ MolecularWeight: 315.43318

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H26N4O/c1-13(2)21-7-9-22(10-8-21)18(23)16(19)11-14-12-20-17-6-4-3-5-15(14)17/h3-6,12-13,16,20H,7-11,19H2,1-2H3/p+1/t16-/m0/s1