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

Systemtic Name: 4-chloranyl-2-[[(3S)-3-(2-hydroxyethyl)-4-(1-propan-2-ylpiperidin-4-yl)piperazin-4-ium-1-yl]methyl]phenol Openeye Name: 4-chloro-2-[[(3S)-3-(2-hydroxyethyl)-4-(1-isopropyl-4-piperidyl)piperazin-4-ium-1-yl]methyl]phenol CAS Name: 4-chloro-2-[[(3S)-3-(2-hydroxyethyl)-4-(1-propan-2-yl-4-piperidinyl)-1-piperazin-4-iumyl]methyl]phenol IUPAC Name: 4-chloro-2-[[(3S)-3-(2-hydroxyethyl)-4-(1-propan-2-ylpiperidin-4-yl)piperazin-4-ium-1-yl]methyl]phenol Traditional Name: 4-chloro-2-[[(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=C(C=CC(=C3)Cl)O

Isomeric SMILES

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

InChI

InChI=1S/C21H34ClN3O2/c1-16(2)24-8-5-19(6-9-24)25-11-10-23(15-20(25)7-12-26)14-17-13-18(22)3-4-21(17)27/h3-4,13,16,19-20,26-27H,5-12,14-15H2,1-2H3/p+1/t20-/m0/s1