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

Systemtic Name: 2-[(2S)-1-[(6-methylpyridin-2-yl)methyl]-4-(1-phenethylpiperidin-1-ium-4-yl)piperazin-2-yl]ethanol Openeye Name: 2-[(2S)-1-[(6-methyl-2-pyridyl)methyl]-4-(1-phenethylpiperidin-1-ium-4-yl)piperazin-2-yl]ethanol CAS Name: 2-[(2S)-1-[(6-methyl-2-pyridinyl)methyl]-4-(1-phenethyl-4-piperidin-1-iumyl)-2-piperazinyl]ethanol IUPAC Name: 2-[(2S)-1-[(6-methylpyridin-2-yl)methyl]-4-(1-phenethylpiperidin-1-ium-4-yl)piperazin-2-yl]ethanol Traditional Name: 2-[(2S)-1-[(6-methyl-2-pyridyl)methyl]-4-(1-phenethylpiperidin-1-ium-4-yl)piperazin-2-yl]ethanol Formula: C26H39N4O+ MolecularWeight: 423.61406

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CC=C1)CN2CCN(CC2CCO)C3CC[NH+](CC3)CCC4=CC=CC=C4

Isomeric SMILES

CC1=NC(=CC=C1)CN2CCN(C[C@@H]2CCO)C3CC[NH+](CC3)CCC4=CC=CC=C4

InChI

InChI=1S/C26H38N4O/c1-22-6-5-9-24(27-22)20-29-17-18-30(21-26(29)13-19-31)25-11-15-28(16-12-25)14-10-23-7-3-2-4-8-23/h2-9,25-26,31H,10-21H2,1H3/p+1/t26-/m0/s1