2-[(2S)-1-(3-methylbut-2-enyl)-4-(quinoxalin-5-ylmethyl)piperazin-1-ium-2-yl]ethanol

Systemtic Name: 2-[(2S)-1-(3-methylbut-2-enyl)-4-(quinoxalin-5-ylmethyl)piperazin-1-ium-2-yl]ethanol Openeye Name: 2-[(2S)-1-(3-methylbut-2-enyl)-4-(quinoxalin-5-ylmethyl)piperazin-1-ium-2-yl]ethanol CAS Name: 2-[(2S)-1-(3-methylbut-2-enyl)-4-(5-quinoxalinylmethyl)-2-piperazin-1-iumyl]ethanol IUPAC Name: 2-[(2S)-1-(3-methylbut-2-enyl)-4-(quinoxalin-5-ylmethyl)piperazin-1-ium-2-yl]ethanol Traditional Name: 2-[(2S)-1-(3-methylbut-2-enyl)-4-(quinoxalin-5-ylmethyl)piperazin-1-ium-2-yl]ethanol Formula: C20H29N4O+ MolecularWeight: 341.47046

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=CC[NH+]1CCN(CC1CCO)CC2=C3C(=CC=C2)N=CC=N3)C

Isomeric SMILES

CC(=CC[NH+]1CCN(C[C@@H]1CCO)CC2=C3C(=CC=C2)N=CC=N3)C

InChI

InChI=1S/C20H28N4O/c1-16(2)6-10-24-12-11-23(15-18(24)7-13-25)14-17-4-3-5-19-20(17)22-9-8-21-19/h3-6,8-9,18,25H,7,10-15H2,1-2H3/p+1/t18-/m0/s1