2-[(2S)-1-[(6-methylpyridin-2-yl)methyl]-4-(quinolin-8-ylmethyl)piperazin-1-ium-2-yl]ethanol

Systemtic Name: 2-[(2S)-1-[(6-methylpyridin-2-yl)methyl]-4-(quinolin-8-ylmethyl)piperazin-1-ium-2-yl]ethanol Openeye Name: 2-[(2S)-1-[(6-methyl-2-pyridyl)methyl]-4-(8-quinolylmethyl)piperazin-1-ium-2-yl]ethanol CAS Name: 2-[(2S)-1-[(6-methyl-2-pyridinyl)methyl]-4-(8-quinolinylmethyl)-2-piperazin-1-iumyl]ethanol IUPAC Name: 2-[(2S)-1-[(6-methylpyridin-2-yl)methyl]-4-(quinolin-8-ylmethyl)piperazin-1-ium-2-yl]ethanol Traditional Name: 2-[(2S)-1-[(6-methyl-2-pyridyl)methyl]-4-(8-quinolylmethyl)piperazin-1-ium-2-yl]ethanol Formula: C23H29N4O+ MolecularWeight: 377.50256

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CC=C1)C[NH+]2CCN(CC2CCO)CC3=CC=CC4=C3N=CC=C4

Isomeric SMILES

CC1=NC(=CC=C1)C[NH+]2CCN(C[C@@H]2CCO)CC3=CC=CC4=C3N=CC=C4

InChI

InChI=1S/C23H28N4O/c1-18-5-2-9-21(25-18)16-27-13-12-26(17-22(27)10-14-28)15-20-7-3-6-19-8-4-11-24-23(19)20/h2-9,11,22,28H,10,12-17H2,1H3/p+1/t22-/m0/s1