[(2S)-3-(1H-indol-3-yl)-1-[(2-methyl-2-piperidin-1-ium-1-yl-propyl)amino]-1-oxidanylidene-propan-2-yl]azanium

Systemtic Name: [(2S)-3-(1H-indol-3-yl)-1-[(2-methyl-2-piperidin-1-ium-1-yl-propyl)amino]-1-oxidanylidene-propan-2-yl]azanium Openeye Name: [(1S)-1-(1H-indol-3-ylmethyl)-2-[(2-methyl-2-piperidin-1-ium-1-yl-propyl)amino]-2-oxo-ethyl]ammonium CAS Name: [(2S)-3-(1H-indol-3-yl)-1-[[2-methyl-2-(1-piperidin-1-iumyl)propyl]amino]-1-oxopropan-2-yl]ammonium IUPAC Name: [(2S)-3-(1H-indol-3-yl)-1-[(2-methyl-2-piperidin-1-ium-1-ylpropyl)amino]-1-oxopropan-2-yl]azanium Traditional Name: [(1S)-1-(1H-indol-3-ylmethyl)-2-keto-2-[(2-methyl-2-piperidin-1-ium-1-yl-propyl)amino]ethyl]ammonium Formula: C20H32N4O+2 MolecularWeight: 344.49428

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CNC(=O)C(CC1=CNC2=CC=CC=C21)[NH3+])[NH+]3CCCCC3

Isomeric SMILES

CC(C)(CNC(=O)[C@H](CC1=CNC2=CC=CC=C21)[NH3+])[NH+]3CCCCC3

InChI

InChI=1S/C20H30N4O/c1-20(2,24-10-6-3-7-11-24)14-23-19(25)17(21)12-15-13-22-18-9-5-4-8-16(15)18/h4-5,8-9,13,17,22H,3,6-7,10-12,14,21H2,1-2H3,(H,23,25)/p+2/t17-/m0/s1