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

Systemtic Name: [(2S)-1-(4-ethylpiperazin-4-ium-1-yl)-3-(1H-indol-3-yl)propan-2-yl]azanium Openeye Name: [(1S)-1-[(4-ethylpiperazin-4-ium-1-yl)methyl]-2-(1H-indol-3-yl)ethyl]ammonium CAS Name: [(2S)-1-(4-ethyl-1-piperazin-4-iumyl)-3-(1H-indol-3-yl)propan-2-yl]ammonium IUPAC Name: [(2S)-1-(4-ethylpiperazin-4-ium-1-yl)-3-(1H-indol-3-yl)propan-2-yl]azanium Traditional Name: [(1S)-1-[(4-ethylpiperazin-4-ium-1-yl)methyl]-2-(1H-indol-3-yl)ethyl]ammonium Formula: C17H28N4+2 MolecularWeight: 288.43102

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H26N4/c1-2-20-7-9-21(10-8-20)13-15(18)11-14-12-19-17-6-4-3-5-16(14)17/h3-6,12,15,19H,2,7-11,13,18H2,1H3/p+2/t15-/m0/s1