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

Systemtic Name: [(2S)-3-(1H-indol-3-yl)-1-(4-methylpiperazin-4-ium-1-yl)-1-oxidanylidene-propan-2-yl]azanium Openeye Name: [(1S)-1-(1H-indol-3-ylmethyl)-2-(4-methylpiperazin-4-ium-1-yl)-2-oxo-ethyl]ammonium CAS Name: [(2S)-3-(1H-indol-3-yl)-1-(4-methyl-1-piperazin-4-iumyl)-1-oxopropan-2-yl]ammonium IUPAC Name: [(2S)-3-(1H-indol-3-yl)-1-(4-methylpiperazin-4-ium-1-yl)-1-oxopropan-2-yl]azanium Traditional Name: [(1S)-1-(1H-indol-3-ylmethyl)-2-keto-2-(4-methylpiperazin-4-ium-1-yl)ethyl]ammonium Formula: C16H24N4O+2 MolecularWeight: 288.38796

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C(=O)C(CC2=CNC3=CC=CC=C32)[NH3+]

Isomeric SMILES

C[NH+]1CCN(CC1)C(=O)[C@H](CC2=CNC3=CC=CC=C32)[NH3+]

InChI

InChI=1S/C16H22N4O/c1-19-6-8-20(9-7-19)16(21)14(17)10-12-11-18-15-5-3-2-4-13(12)15/h2-5,11,14,18H,6-10,17H2,1H3/p+2/t14-/m0/s1