2-[(2S)-1-[(4-methoxy-3-methyl-phenyl)methyl]-4-(1-phenylpiperidin-4-yl)piperazin-4-ium-2-yl]ethanol

Systemtic Name: 2-[(2S)-1-[(4-methoxy-3-methyl-phenyl)methyl]-4-(1-phenylpiperidin-4-yl)piperazin-4-ium-2-yl]ethanol Openeye Name: 2-[(2S)-1-[(4-methoxy-3-methyl-phenyl)methyl]-4-(1-phenyl-4-piperidyl)piperazin-4-ium-2-yl]ethanol CAS Name: 2-[(2S)-1-[(4-methoxy-3-methylphenyl)methyl]-4-(1-phenyl-4-piperidinyl)-2-piperazin-4-iumyl]ethanol IUPAC Name: 2-[(2S)-1-[(4-methoxy-3-methylphenyl)methyl]-4-(1-phenylpiperidin-4-yl)piperazin-4-ium-2-yl]ethanol Traditional Name: 2-[(2S)-1-(4-methoxy-3-methyl-benzyl)-4-(1-phenyl-4-piperidyl)piperazin-4-ium-2-yl]ethanol Formula: C26H38N3O2+ MolecularWeight: 424.59882

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)CN2CC[NH+](CC2CCO)C3CCN(CC3)C4=CC=CC=C4)OC

Isomeric SMILES

CC1=C(C=CC(=C1)CN2CC[NH+](C[C@@H]2CCO)C3CCN(CC3)C4=CC=CC=C4)OC

InChI

InChI=1S/C26H37N3O2/c1-21-18-22(8-9-26(21)31-2)19-28-15-16-29(20-25(28)12-17-30)24-10-13-27(14-11-24)23-6-4-3-5-7-23/h3-9,18,24-25,30H,10-17,19-20H2,1-2H3/p+1/t25-/m0/s1