2-chloranyl-4-[[(3S)-3-(2-hydroxyethyl)-4-(1-propan-2-ylpiperidin-4-yl)piperazin-4-ium-1-yl]methyl]-6-methoxy-phenol

Systemtic Name: 2-chloranyl-4-[[(3S)-3-(2-hydroxyethyl)-4-(1-propan-2-ylpiperidin-4-yl)piperazin-4-ium-1-yl]methyl]-6-methoxy-phenol Openeye Name: 2-chloro-4-[[(3S)-3-(2-hydroxyethyl)-4-(1-isopropyl-4-piperidyl)piperazin-4-ium-1-yl]methyl]-6-methoxy-phenol CAS Name: 2-chloro-4-[[(3S)-3-(2-hydroxyethyl)-4-(1-propan-2-yl-4-piperidinyl)-1-piperazin-4-iumyl]methyl]-6-methoxyphenol IUPAC Name: 2-chloro-4-[[(3S)-3-(2-hydroxyethyl)-4-(1-propan-2-ylpiperidin-4-yl)piperazin-4-ium-1-yl]methyl]-6-methoxyphenol Traditional Name: 2-chloro-4-[[(3S)-3-(2-hydroxyethyl)-4-(1-isopropyl-4-piperidyl)piperazin-4-ium-1-yl]methyl]-6-methoxy-phenol Formula: C22H37ClN3O3+ MolecularWeight: 427.00048

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H36ClN3O3/c1-16(2)25-7-4-18(5-8-25)26-10-9-24(15-19(26)6-11-27)14-17-12-20(23)22(28)21(13-17)29-3/h12-13,16,18-19,27-28H,4-11,14-15H2,1-3H3/p+1/t19-/m0/s1