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

Systemtic Name: 2-[(2S)-1-(3-methylbutyl)-4-[(3-methylquinoxalin-2-yl)methyl]piperazin-1-ium-2-yl]ethanol Openeye Name: 2-[(2S)-1-isopentyl-4-[(3-methylquinoxalin-2-yl)methyl]piperazin-1-ium-2-yl]ethanol CAS Name: 2-[(2S)-1-(3-methylbutyl)-4-[(3-methyl-2-quinoxalinyl)methyl]-2-piperazin-1-iumyl]ethanol IUPAC Name: 2-[(2S)-1-(3-methylbutyl)-4-[(3-methylquinoxalin-2-yl)methyl]piperazin-1-ium-2-yl]ethanol Traditional Name: 2-[(2S)-1-isoamyl-4-[(3-methylquinoxalin-2-yl)methyl]piperazin-1-ium-2-yl]ethanol Formula: C21H33N4O+ MolecularWeight: 357.51292

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H32N4O/c1-16(2)8-10-25-12-11-24(14-18(25)9-13-26)15-21-17(3)22-19-6-4-5-7-20(19)23-21/h4-7,16,18,26H,8-15H2,1-3H3/p+1/t18-/m0/s1