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

Systemtic Name: 2-[(2S)-4-(2,2-diphenylethyl)-1-[(6-methylpyridin-2-yl)methyl]piperazin-4-ium-2-yl]ethanol Openeye Name: 2-[(2S)-4-(2,2-diphenylethyl)-1-[(6-methyl-2-pyridyl)methyl]piperazin-4-ium-2-yl]ethanol CAS Name: 2-[(2S)-4-(2,2-diphenylethyl)-1-[(6-methyl-2-pyridinyl)methyl]-2-piperazin-4-iumyl]ethanol IUPAC Name: 2-[(2S)-4-(2,2-diphenylethyl)-1-[(6-methylpyridin-2-yl)methyl]piperazin-4-ium-2-yl]ethanol Traditional Name: 2-[(2S)-4-(2,2-diphenylethyl)-1-[(6-methyl-2-pyridyl)methyl]piperazin-4-ium-2-yl]ethanol Formula: C27H34N3O+ MolecularWeight: 416.57836

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CC=C1)CN2CC[NH+](CC2CCO)CC(C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CC1=NC(=CC=C1)CN2CC[NH+](C[C@@H]2CCO)CC(C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C27H33N3O/c1-22-9-8-14-25(28-22)19-30-17-16-29(20-26(30)15-18-31)21-27(23-10-4-2-5-11-23)24-12-6-3-7-13-24/h2-14,26-27,31H,15-21H2,1H3/p+1/t26-/m0/s1