2-[(2S)-1-(2,2-dimethylpropyl)-4-[(1-ethylindol-3-yl)methyl]piperazin-4-ium-2-yl]ethanol

Systemtic Name: 2-[(2S)-1-(2,2-dimethylpropyl)-4-[(1-ethylindol-3-yl)methyl]piperazin-4-ium-2-yl]ethanol Openeye Name: 2-[(2S)-1-(2,2-dimethylpropyl)-4-[(1-ethylindol-3-yl)methyl]piperazin-4-ium-2-yl]ethanol CAS Name: 2-[(2S)-1-(2,2-dimethylpropyl)-4-[(1-ethyl-3-indolyl)methyl]-2-piperazin-4-iumyl]ethanol IUPAC Name: 2-[(2S)-1-(2,2-dimethylpropyl)-4-[(1-ethylindol-3-yl)methyl]piperazin-4-ium-2-yl]ethanol Traditional Name: 2-[(2S)-4-[(1-ethylindol-3-yl)methyl]-1-neopentyl-piperazin-4-ium-2-yl]ethanol Formula: C22H36N3O+ MolecularWeight: 358.54074

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C2=CC=CC=C21)C[NH+]3CCN(C(C3)CCO)CC(C)(C)C

Isomeric SMILES

CCN1C=C(C2=CC=CC=C21)C[NH+]3CCN([C@H](C3)CCO)CC(C)(C)C

InChI

InChI=1S/C22H35N3O/c1-5-24-15-18(20-8-6-7-9-21(20)24)14-23-11-12-25(17-22(2,3)4)19(16-23)10-13-26/h6-9,15,19,26H,5,10-14,16-17H2,1-4H3/p+1/t19-/m0/s1