2-[[(3S)-3-(2-hydroxyethyl)-4-(1-propan-2-ylpiperidin-4-yl)piperazin-4-ium-1-yl]methyl]-5-methoxy-phenol

Systemtic Name: 2-[[(3S)-3-(2-hydroxyethyl)-4-(1-propan-2-ylpiperidin-4-yl)piperazin-4-ium-1-yl]methyl]-5-methoxy-phenol Openeye Name: 2-[[(3S)-3-(2-hydroxyethyl)-4-(1-isopropyl-4-piperidyl)piperazin-4-ium-1-yl]methyl]-5-methoxy-phenol CAS Name: 2-[[(3S)-3-(2-hydroxyethyl)-4-(1-propan-2-yl-4-piperidinyl)-1-piperazin-4-iumyl]methyl]-5-methoxyphenol IUPAC Name: 2-[[(3S)-3-(2-hydroxyethyl)-4-(1-propan-2-ylpiperidin-4-yl)piperazin-4-ium-1-yl]methyl]-5-methoxyphenol Traditional Name: 2-[[(3S)-3-(2-hydroxyethyl)-4-(1-isopropyl-4-piperidyl)piperazin-4-ium-1-yl]methyl]-5-methoxy-phenol Formula: C22H38N3O3+ MolecularWeight: 392.55542

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H37N3O3/c1-17(2)24-9-6-19(7-10-24)25-12-11-23(16-20(25)8-13-26)15-18-4-5-21(28-3)14-22(18)27/h4-5,14,17,19-20,26-27H,6-13,15-16H2,1-3H3/p+1/t20-/m0/s1