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

Systemtic Name: 2-[(2S)-4-[(3-methoxyphenyl)methyl]-1-(1-propan-2-ylpiperidin-4-yl)piperazin-1-ium-2-yl]ethanol Openeye Name: 2-[(2S)-1-(1-isopropyl-4-piperidyl)-4-[(3-methoxyphenyl)methyl]piperazin-1-ium-2-yl]ethanol CAS Name: 2-[(2S)-4-[(3-methoxyphenyl)methyl]-1-(1-propan-2-yl-4-piperidinyl)-2-piperazin-1-iumyl]ethanol IUPAC Name: 2-[(2S)-4-[(3-methoxyphenyl)methyl]-1-(1-propan-2-ylpiperidin-4-yl)piperazin-1-ium-2-yl]ethanol Traditional Name: 2-[(2S)-1-(1-isopropyl-4-piperidyl)-4-m-anisyl-piperazin-1-ium-2-yl]ethanol Formula: C22H38N3O2+ MolecularWeight: 376.55602

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H37N3O2/c1-18(2)24-10-7-20(8-11-24)25-13-12-23(17-21(25)9-14-26)16-19-5-4-6-22(15-19)27-3/h4-6,15,18,20-21,26H,7-14,16-17H2,1-3H3/p+1/t21-/m0/s1