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

Systemtic Name: 2-[(2S)-4-cycloheptyl-1-(1-propan-2-ylpiperidin-4-yl)piperazin-1-ium-2-yl]ethanol Openeye Name: 2-[(2S)-4-cycloheptyl-1-(1-isopropyl-4-piperidyl)piperazin-1-ium-2-yl]ethanol CAS Name: 2-[(2S)-4-cycloheptyl-1-(1-propan-2-yl-4-piperidinyl)-2-piperazin-1-iumyl]ethanol IUPAC Name: 2-[(2S)-4-cycloheptyl-1-(1-propan-2-ylpiperidin-4-yl)piperazin-1-ium-2-yl]ethanol Traditional Name: 2-[(2S)-4-cycloheptyl-1-(1-isopropyl-4-piperidyl)piperazin-1-ium-2-yl]ethanol Formula: C21H42N3O+ MolecularWeight: 352.57768

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1CCC(CC1)[NH+]2CCN(CC2CCO)C3CCCCCC3

Isomeric SMILES

CC(C)N1CCC(CC1)[NH+]2CCN(C[C@@H]2CCO)C3CCCCCC3

InChI

InChI=1S/C21H41N3O/c1-18(2)22-12-9-20(10-13-22)24-15-14-23(17-21(24)11-16-25)19-7-5-3-4-6-8-19/h18-21,25H,3-17H2,1-2H3/p+1/t21-/m0/s1