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

Systemtic Name: 2-[(2S)-4-[(4-chlorophenyl)methyl]-1-(1-propan-2-ylpiperidin-4-yl)piperazin-1-ium-2-yl]ethanol Openeye Name: 2-[(2S)-4-[(4-chlorophenyl)methyl]-1-(1-isopropyl-4-piperidyl)piperazin-1-ium-2-yl]ethanol CAS Name: 2-[(2S)-4-[(4-chlorophenyl)methyl]-1-(1-propan-2-yl-4-piperidinyl)-2-piperazin-1-iumyl]ethanol IUPAC Name: 2-[(2S)-4-[(4-chlorophenyl)methyl]-1-(1-propan-2-ylpiperidin-4-yl)piperazin-1-ium-2-yl]ethanol Traditional Name: 2-[(2S)-4-(4-chlorobenzyl)-1-(1-isopropyl-4-piperidyl)piperazin-1-ium-2-yl]ethanol Formula: C21H35ClN3O+ MolecularWeight: 380.9751

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H34ClN3O/c1-17(2)24-10-7-20(8-11-24)25-13-12-23(16-21(25)9-14-26)15-18-3-5-19(22)6-4-18/h3-6,17,20-21,26H,7-16H2,1-2H3/p+1/t21-/m0/s1