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

Systemtic Name: 2-[(2S)-4-(1-phenylpiperidin-4-yl)-1-(1-propan-2-ylpiperidin-4-yl)piperazin-1-ium-2-yl]ethanol Openeye Name: 2-[(2S)-1-(1-isopropyl-4-piperidyl)-4-(1-phenyl-4-piperidyl)piperazin-1-ium-2-yl]ethanol CAS Name: 2-[(2S)-4-(1-phenyl-4-piperidinyl)-1-(1-propan-2-yl-4-piperidinyl)-2-piperazin-1-iumyl]ethanol IUPAC Name: 2-[(2S)-4-(1-phenylpiperidin-4-yl)-1-(1-propan-2-ylpiperidin-4-yl)piperazin-1-ium-2-yl]ethanol Traditional Name: 2-[(2S)-1-(1-isopropyl-4-piperidyl)-4-(1-phenyl-4-piperidyl)piperazin-1-ium-2-yl]ethanol Formula: C25H43N4O+ MolecularWeight: 415.63512

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1CCC(CC1)[NH+]2CCN(CC2CCO)C3CCN(CC3)C4=CC=CC=C4

Isomeric SMILES

CC(C)N1CCC(CC1)[NH+]2CCN(C[C@@H]2CCO)C3CCN(CC3)C4=CC=CC=C4

InChI

InChI=1S/C25H42N4O/c1-21(2)26-13-10-24(11-14-26)29-18-17-28(20-25(29)12-19-30)23-8-15-27(16-9-23)22-6-4-3-5-7-22/h3-7,21,23-25,30H,8-20H2,1-2H3/p+1/t25-/m0/s1