2-[(2S)-4-(1-phenethylpiperidin-4-yl)-1-(phenylmethyl)piperazin-4-ium-2-yl]ethanol

Systemtic Name: 2-[(2S)-4-(1-phenethylpiperidin-4-yl)-1-(phenylmethyl)piperazin-4-ium-2-yl]ethanol Openeye Name: 2-[(2S)-1-benzyl-4-(1-phenethyl-4-piperidyl)piperazin-4-ium-2-yl]ethanol CAS Name: 2-[(2S)-4-(1-phenethyl-4-piperidinyl)-1-(phenylmethyl)-2-piperazin-4-iumyl]ethanol IUPAC Name: 2-[(2S)-1-benzyl-4-(1-phenethylpiperidin-4-yl)piperazin-4-ium-2-yl]ethanol Traditional Name: 2-[(2S)-1-benzyl-4-(1-phenethyl-4-piperidyl)piperazin-4-ium-2-yl]ethanol Formula: C26H38N3O+ MolecularWeight: 408.59942

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1[NH+]2CCN(C(C2)CCO)CC3=CC=CC=C3)CCC4=CC=CC=C4

Isomeric SMILES

C1CN(CCC1[NH+]2CCN([C@H](C2)CCO)CC3=CC=CC=C3)CCC4=CC=CC=C4

InChI

InChI=1S/C26H37N3O/c30-20-14-26-22-29(19-18-28(26)21-24-9-5-2-6-10-24)25-12-16-27(17-13-25)15-11-23-7-3-1-4-8-23/h1-10,25-26,30H,11-22H2/p+1/t26-/m0/s1