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

Systemtic Name: 2-[[(3S)-3-(2-hydroxyethyl)-4-(1-methylpiperidin-4-yl)piperazin-4-ium-1-yl]methyl]phenol Openeye Name: 2-[[(3S)-3-(2-hydroxyethyl)-4-(1-methyl-4-piperidyl)piperazin-4-ium-1-yl]methyl]phenol CAS Name: 2-[[(3S)-3-(2-hydroxyethyl)-4-(1-methyl-4-piperidinyl)-1-piperazin-4-iumyl]methyl]phenol IUPAC Name: 2-[[(3S)-3-(2-hydroxyethyl)-4-(1-methylpiperidin-4-yl)piperazin-4-ium-1-yl]methyl]phenol Traditional Name: 2-[[(3S)-3-(2-hydroxyethyl)-4-(1-methyl-4-piperidyl)piperazin-4-ium-1-yl]methyl]phenol Formula: C19H32N3O2+ MolecularWeight: 334.47628

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCC(CC1)[NH+]2CCN(CC2CCO)CC3=CC=CC=C3O

Isomeric SMILES

CN1CCC(CC1)[NH+]2CCN(C[C@@H]2CCO)CC3=CC=CC=C3O

InChI

InChI=1S/C19H31N3O2/c1-20-9-6-17(7-10-20)22-12-11-21(15-18(22)8-13-23)14-16-4-2-3-5-19(16)24/h2-5,17-18,23-24H,6-15H2,1H3/p+1/t18-/m0/s1