2-[(2S)-1-(2-methylpropyl)-4-[(3-methylquinoxalin-2-yl)methyl]piperazin-1-ium-2-yl]ethanol

Systemtic Name: 2-[(2S)-1-(2-methylpropyl)-4-[(3-methylquinoxalin-2-yl)methyl]piperazin-1-ium-2-yl]ethanol Openeye Name: 2-[(2S)-1-isobutyl-4-[(3-methylquinoxalin-2-yl)methyl]piperazin-1-ium-2-yl]ethanol CAS Name: 2-[(2S)-1-(2-methylpropyl)-4-[(3-methyl-2-quinoxalinyl)methyl]-2-piperazin-1-iumyl]ethanol IUPAC Name: 2-[(2S)-1-(2-methylpropyl)-4-[(3-methylquinoxalin-2-yl)methyl]piperazin-1-ium-2-yl]ethanol Traditional Name: 2-[(2S)-1-isobutyl-4-[(3-methylquinoxalin-2-yl)methyl]piperazin-1-ium-2-yl]ethanol Formula: C20H31N4O+ MolecularWeight: 343.48634

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=CC=CC=C2N=C1CN3CC[NH+](C(C3)CCO)CC(C)C

Isomeric SMILES

CC1=NC2=CC=CC=C2N=C1CN3CC[NH+]([C@H](C3)CCO)CC(C)C

InChI

InChI=1S/C20H30N4O/c1-15(2)12-24-10-9-23(13-17(24)8-11-25)14-20-16(3)21-18-6-4-5-7-19(18)22-20/h4-7,15,17,25H,8-14H2,1-3H3/p+1/t17-/m0/s1