2-[(2S)-1-[(2-methylphenyl)methyl]-4-(quinolin-6-ylmethyl)piperazin-4-ium-2-yl]ethanol

Systemtic Name: 2-[(2S)-1-[(2-methylphenyl)methyl]-4-(quinolin-6-ylmethyl)piperazin-4-ium-2-yl]ethanol Openeye Name: 2-[(2S)-1-(o-tolylmethyl)-4-(6-quinolylmethyl)piperazin-4-ium-2-yl]ethanol CAS Name: 2-[(2S)-1-[(2-methylphenyl)methyl]-4-(6-quinolinylmethyl)-2-piperazin-4-iumyl]ethanol IUPAC Name: 2-[(2S)-1-[(2-methylphenyl)methyl]-4-(quinolin-6-ylmethyl)piperazin-4-ium-2-yl]ethanol Traditional Name: 2-[(2S)-1-(2-methylbenzyl)-4-(6-quinolylmethyl)piperazin-4-ium-2-yl]ethanol Formula: C24H30N3O+ MolecularWeight: 376.5145

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CN2CC[NH+](CC2CCO)CC3=CC4=C(C=C3)N=CC=C4

Isomeric SMILES

CC1=CC=CC=C1CN2CC[NH+](C[C@@H]2CCO)CC3=CC4=C(C=C3)N=CC=C4

InChI

InChI=1S/C24H29N3O/c1-19-5-2-3-6-22(19)17-27-13-12-26(18-23(27)10-14-28)16-20-8-9-24-21(15-20)7-4-11-25-24/h2-9,11,15,23,28H,10,12-14,16-18H2,1H3/p+1/t23-/m0/s1