2-[(2S)-1-[(4-methylphenyl)methyl]-4-(quinoxalin-5-ylmethyl)piperazin-4-ium-2-yl]ethanol

Systemtic Name: 2-[(2S)-1-[(4-methylphenyl)methyl]-4-(quinoxalin-5-ylmethyl)piperazin-4-ium-2-yl]ethanol Openeye Name: 2-[(2S)-1-(p-tolylmethyl)-4-(quinoxalin-5-ylmethyl)piperazin-4-ium-2-yl]ethanol CAS Name: 2-[(2S)-1-[(4-methylphenyl)methyl]-4-(5-quinoxalinylmethyl)-2-piperazin-4-iumyl]ethanol IUPAC Name: 2-[(2S)-1-[(4-methylphenyl)methyl]-4-(quinoxalin-5-ylmethyl)piperazin-4-ium-2-yl]ethanol Traditional Name: 2-[(2S)-1-(4-methylbenzyl)-4-(quinoxalin-5-ylmethyl)piperazin-4-ium-2-yl]ethanol Formula: C23H29N4O+ MolecularWeight: 377.50256

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN2CC[NH+](CC2CCO)CC3=C4C(=CC=C3)N=CC=N4

Isomeric SMILES

CC1=CC=C(C=C1)CN2CC[NH+](C[C@@H]2CCO)CC3=C4C(=CC=C3)N=CC=N4

InChI

InChI=1S/C23H28N4O/c1-18-5-7-19(8-6-18)15-27-13-12-26(17-21(27)9-14-28)16-20-3-2-4-22-23(20)25-11-10-24-22/h2-8,10-11,21,28H,9,12-17H2,1H3/p+1/t21-/m0/s1