2-[(2S)-4-[(3-phenylmethoxyphenyl)methyl]-1-(1-propan-2-ylpiperidin-4-yl)piperazin-1-ium-2-yl]ethanol

Systemtic Name: 2-[(2S)-4-[(3-phenylmethoxyphenyl)methyl]-1-(1-propan-2-ylpiperidin-4-yl)piperazin-1-ium-2-yl]ethanol Openeye Name: 2-[(2S)-4-[(3-benzyloxyphenyl)methyl]-1-(1-isopropyl-4-piperidyl)piperazin-1-ium-2-yl]ethanol CAS Name: 2-[(2S)-4-[(3-phenylmethoxyphenyl)methyl]-1-(1-propan-2-yl-4-piperidinyl)-2-piperazin-1-iumyl]ethanol IUPAC Name: 2-[(2S)-4-[(3-phenylmethoxyphenyl)methyl]-1-(1-propan-2-ylpiperidin-4-yl)piperazin-1-ium-2-yl]ethanol Traditional Name: 2-[(2S)-4-(3-benzoxybenzyl)-1-(1-isopropyl-4-piperidyl)piperazin-1-ium-2-yl]ethanol Formula: C28H42N3O2+ MolecularWeight: 452.65198

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1CCC(CC1)[NH+]2CCN(CC2CCO)CC3=CC(=CC=C3)OCC4=CC=CC=C4

Isomeric SMILES

CC(C)N1CCC(CC1)[NH+]2CCN(C[C@@H]2CCO)CC3=CC(=CC=C3)OCC4=CC=CC=C4

InChI

InChI=1S/C28H41N3O2/c1-23(2)30-14-11-26(12-15-30)31-17-16-29(21-27(31)13-18-32)20-25-9-6-10-28(19-25)33-22-24-7-4-3-5-8-24/h3-10,19,23,26-27,32H,11-18,20-22H2,1-2H3/p+1/t27-/m0/s1