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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CN1CC[NH+](CC1CCO)CC2=NC3=CC=CC=C3C=C2

Isomeric SMILES

CC(C)(C)CN1CC[NH+](C[C@@H]1CCO)CC2=NC3=CC=CC=C3C=C2

InChI

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