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

Systemtic Name: 2-[(2S)-1-[(6-methylpyridin-2-yl)methyl]-4-(quinolin-6-ylmethyl)piperazin-1-ium-2-yl]ethanol Openeye Name: 2-[(2S)-1-[(6-methyl-2-pyridyl)methyl]-4-(6-quinolylmethyl)piperazin-1-ium-2-yl]ethanol CAS Name: 2-[(2S)-1-[(6-methyl-2-pyridinyl)methyl]-4-(6-quinolinylmethyl)-2-piperazin-1-iumyl]ethanol IUPAC Name: 2-[(2S)-1-[(6-methylpyridin-2-yl)methyl]-4-(quinolin-6-ylmethyl)piperazin-1-ium-2-yl]ethanol Traditional Name: 2-[(2S)-1-[(6-methyl-2-pyridyl)methyl]-4-(6-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=CC4=C(C=C3)N=CC=C4

Isomeric SMILES

CC1=NC(=CC=C1)C[NH+]2CCN(C[C@@H]2CCO)CC3=CC4=C(C=C3)N=CC=C4

InChI

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