2-[(2S)-1-(2,2-dimethylpropyl)-4-(quinolin-6-ylmethyl)piperazin-1-ium-2-yl]ethanol

Systemtic Name: 2-[(2S)-1-(2,2-dimethylpropyl)-4-(quinolin-6-ylmethyl)piperazin-1-ium-2-yl]ethanol Openeye Name: 2-[(2S)-1-(2,2-dimethylpropyl)-4-(6-quinolylmethyl)piperazin-1-ium-2-yl]ethanol CAS Name: 2-[(2S)-1-(2,2-dimethylpropyl)-4-(6-quinolinylmethyl)-2-piperazin-1-iumyl]ethanol IUPAC Name: 2-[(2S)-1-(2,2-dimethylpropyl)-4-(quinolin-6-ylmethyl)piperazin-1-ium-2-yl]ethanol Traditional Name: 2-[(2S)-1-neopentyl-4-(6-quinolylmethyl)piperazin-1-ium-2-yl]ethanol Formula: C21H32N3O+ MolecularWeight: 342.49828

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C[NH+]1CCN(CC1CCO)CC2=CC3=C(C=C2)N=CC=C3

Isomeric SMILES

CC(C)(C)C[NH+]1CCN(C[C@@H]1CCO)CC2=CC3=C(C=C2)N=CC=C3

InChI

InChI=1S/C21H31N3O/c1-21(2,3)16-24-11-10-23(15-19(24)8-12-25)14-17-6-7-20-18(13-17)5-4-9-22-20/h4-7,9,13,19,25H,8,10-12,14-16H2,1-3H3/p+1/t19-/m0/s1