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

Systemtic Name: 2-[(2S)-1-(3-methylbut-2-enyl)-4-(quinolin-4-ylmethyl)piperazin-1-ium-2-yl]ethanol Openeye Name: 2-[(2S)-1-(3-methylbut-2-enyl)-4-(4-quinolylmethyl)piperazin-1-ium-2-yl]ethanol CAS Name: 2-[(2S)-1-(3-methylbut-2-enyl)-4-(4-quinolinylmethyl)-2-piperazin-1-iumyl]ethanol IUPAC Name: 2-[(2S)-1-(3-methylbut-2-enyl)-4-(quinolin-4-ylmethyl)piperazin-1-ium-2-yl]ethanol Traditional Name: 2-[(2S)-1-(3-methylbut-2-enyl)-4-(4-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=NC3=CC=CC=C23)C

Isomeric SMILES

CC(=CC[NH+]1CCN(C[C@@H]1CCO)CC2=CC=NC3=CC=CC=C23)C

InChI

InChI=1S/C21H29N3O/c1-17(2)8-11-24-13-12-23(16-19(24)9-14-25)15-18-7-10-22-21-6-4-3-5-20(18)21/h3-8,10,19,25H,9,11-16H2,1-2H3/p+1/t19-/m0/s1