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

Systemtic Name: 2-[(2S)-1-(3-methylbut-2-enyl)-4-(quinolin-2-ylmethyl)piperazin-1-ium-2-yl]ethanol Openeye Name: 2-[(2S)-1-(3-methylbut-2-enyl)-4-(2-quinolylmethyl)piperazin-1-ium-2-yl]ethanol CAS Name: 2-[(2S)-1-(3-methylbut-2-enyl)-4-(2-quinolinylmethyl)-2-piperazin-1-iumyl]ethanol IUPAC Name: 2-[(2S)-1-(3-methylbut-2-enyl)-4-(quinolin-2-ylmethyl)piperazin-1-ium-2-yl]ethanol Traditional Name: 2-[(2S)-1-(3-methylbut-2-enyl)-4-(2-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=NC3=CC=CC=C3C=C2)C

Isomeric SMILES

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

InChI

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