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

Systemtic Name: 4-[[(3S)-3-(2-hydroxyethyl)-4-(1-propan-2-ylpiperidin-4-yl)piperazin-4-ium-1-yl]methyl]phenol Openeye Name: 4-[[(3S)-3-(2-hydroxyethyl)-4-(1-isopropyl-4-piperidyl)piperazin-4-ium-1-yl]methyl]phenol CAS Name: 4-[[(3S)-3-(2-hydroxyethyl)-4-(1-propan-2-yl-4-piperidinyl)-1-piperazin-4-iumyl]methyl]phenol IUPAC Name: 4-[[(3S)-3-(2-hydroxyethyl)-4-(1-propan-2-ylpiperidin-4-yl)piperazin-4-ium-1-yl]methyl]phenol Traditional Name: 4-[[(3S)-3-(2-hydroxyethyl)-4-(1-isopropyl-4-piperidyl)piperazin-4-ium-1-yl]methyl]phenol Formula: C21H36N3O2+ MolecularWeight: 362.52944

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H35N3O2/c1-17(2)23-10-7-19(8-11-23)24-13-12-22(16-20(24)9-14-25)15-18-3-5-21(26)6-4-18/h3-6,17,19-20,25-26H,7-16H2,1-2H3/p+1/t20-/m0/s1