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

Systemtic Name: 2-[(2S)-1-[(4-methylphenyl)methyl]-4-[(3-methylquinoxalin-2-yl)methyl]piperazin-4-ium-2-yl]ethanol Openeye Name: 2-[(2S)-4-[(3-methylquinoxalin-2-yl)methyl]-1-(p-tolylmethyl)piperazin-4-ium-2-yl]ethanol CAS Name: 2-[(2S)-1-[(4-methylphenyl)methyl]-4-[(3-methyl-2-quinoxalinyl)methyl]-2-piperazin-4-iumyl]ethanol IUPAC Name: 2-[(2S)-1-[(4-methylphenyl)methyl]-4-[(3-methylquinoxalin-2-yl)methyl]piperazin-4-ium-2-yl]ethanol Traditional Name: 2-[(2S)-1-(4-methylbenzyl)-4-[(3-methylquinoxalin-2-yl)methyl]piperazin-4-ium-2-yl]ethanol Formula: C24H31N4O+ MolecularWeight: 391.52914

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN2CC[NH+](CC2CCO)CC3=NC4=CC=CC=C4N=C3C

Isomeric SMILES

CC1=CC=C(C=C1)CN2CC[NH+](C[C@@H]2CCO)CC3=NC4=CC=CC=C4N=C3C

InChI

InChI=1S/C24H30N4O/c1-18-7-9-20(10-8-18)15-28-13-12-27(16-21(28)11-14-29)17-24-19(2)25-22-5-3-4-6-23(22)26-24/h3-10,21,29H,11-17H2,1-2H3/p+1/t21-/m0/s1