2-[(2S)-1-(3-methylbut-2-enyl)-4-(quinolin-8-ylmethyl)piperazin-1-ium-2-yl]ethanol

Systemtic Name: 2-[(2S)-1-(3-methylbut-2-enyl)-4-(quinolin-8-ylmethyl)piperazin-1-ium-2-yl]ethanol Openeye Name: 2-[(2S)-1-(3-methylbut-2-enyl)-4-(8-quinolylmethyl)piperazin-1-ium-2-yl]ethanol CAS Name: 2-[(2S)-1-(3-methylbut-2-enyl)-4-(8-quinolinylmethyl)-2-piperazin-1-iumyl]ethanol IUPAC Name: 2-[(2S)-1-(3-methylbut-2-enyl)-4-(quinolin-8-ylmethyl)piperazin-1-ium-2-yl]ethanol Traditional Name: 2-[(2S)-1-(3-methylbut-2-enyl)-4-(8-quinolylmethyl)piperazin-1-ium-2-yl]ethanol Formula: C21H30N3O+ MolecularWeight: 340.4824

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CC[NH+]1CCN(CC1CCO)CC2=CC=CC3=C2N=CC=C3)C

Isomeric SMILES

CC(=CC[NH+]1CCN(C[C@@H]1CCO)CC2=CC=CC3=C2N=CC=C3)C

InChI

InChI=1S/C21H29N3O/c1-17(2)8-11-24-13-12-23(16-20(24)9-14-25)15-19-6-3-5-18-7-4-10-22-21(18)19/h3-8,10,20,25H,9,11-16H2,1-2H3/p+1/t20-/m0/s1