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

Systemtic Name: 2-chloranyl-4-[[(3S)-3-(2-hydroxyethyl)-4-(1-propan-2-ylpiperidin-4-yl)piperazin-4-ium-1-yl]methyl]phenol Openeye Name: 2-chloro-4-[[(3S)-3-(2-hydroxyethyl)-4-(1-isopropyl-4-piperidyl)piperazin-4-ium-1-yl]methyl]phenol CAS Name: 2-chloro-4-[[(3S)-3-(2-hydroxyethyl)-4-(1-propan-2-yl-4-piperidinyl)-1-piperazin-4-iumyl]methyl]phenol IUPAC Name: 2-chloro-4-[[(3S)-3-(2-hydroxyethyl)-4-(1-propan-2-ylpiperidin-4-yl)piperazin-4-ium-1-yl]methyl]phenol Traditional Name: 2-chloro-4-[[(3S)-3-(2-hydroxyethyl)-4-(1-isopropyl-4-piperidyl)piperazin-4-ium-1-yl]methyl]phenol Formula: C21H35ClN3O2+ MolecularWeight: 396.9745

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H34ClN3O2/c1-16(2)24-8-5-18(6-9-24)25-11-10-23(15-19(25)7-12-26)14-17-3-4-21(27)20(22)13-17/h3-4,13,16,18-19,26-27H,5-12,14-15H2,1-2H3/p+1/t19-/m0/s1