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

Systemtic Name: [(2S)-1-(1H-indol-3-yl)-3-(4-methylpiperazin-4-ium-1-yl)propan-2-yl]azanium Openeye Name: [(1S)-1-(1H-indol-3-ylmethyl)-2-(4-methylpiperazin-4-ium-1-yl)ethyl]ammonium CAS Name: [(2S)-1-(1H-indol-3-yl)-3-(4-methyl-1-piperazin-4-iumyl)propan-2-yl]ammonium IUPAC Name: [(2S)-1-(1H-indol-3-yl)-3-(4-methylpiperazin-4-ium-1-yl)propan-2-yl]azanium Traditional Name: [(1S)-1-(1H-indol-3-ylmethyl)-2-(4-methylpiperazin-4-ium-1-yl)ethyl]ammonium Formula: C16H26N4+2 MolecularWeight: 274.40444

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H24N4/c1-19-6-8-20(9-7-19)12-14(17)10-13-11-18-16-5-3-2-4-15(13)16/h2-5,11,14,18H,6-10,12,17H2,1H3/p+2/t14-/m0/s1