2-[(2S)-4-[(2,4-dimethoxy-3-methyl-phenyl)methyl]-1-(1-methylpiperidin-4-yl)piperazin-1-ium-2-yl]ethanol

Systemtic Name: 2-[(2S)-4-[(2,4-dimethoxy-3-methyl-phenyl)methyl]-1-(1-methylpiperidin-4-yl)piperazin-1-ium-2-yl]ethanol Openeye Name: 2-[(2S)-4-[(2,4-dimethoxy-3-methyl-phenyl)methyl]-1-(1-methyl-4-piperidyl)piperazin-1-ium-2-yl]ethanol CAS Name: 2-[(2S)-4-[(2,4-dimethoxy-3-methylphenyl)methyl]-1-(1-methyl-4-piperidinyl)-2-piperazin-1-iumyl]ethanol IUPAC Name: 2-[(2S)-4-[(2,4-dimethoxy-3-methylphenyl)methyl]-1-(1-methylpiperidin-4-yl)piperazin-1-ium-2-yl]ethanol Traditional Name: 2-[(2S)-4-(2,4-dimethoxy-3-methyl-benzyl)-1-(1-methyl-4-piperidyl)piperazin-1-ium-2-yl]ethanol Formula: C22H38N3O3+ MolecularWeight: 392.55542

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1OC)CN2CC[NH+](C(C2)CCO)C3CCN(CC3)C)OC

Isomeric SMILES

CC1=C(C=CC(=C1OC)CN2CC[NH+]([C@H](C2)CCO)C3CCN(CC3)C)OC

InChI

InChI=1S/C22H37N3O3/c1-17-21(27-3)6-5-18(22(17)28-4)15-24-12-13-25(20(16-24)9-14-26)19-7-10-23(2)11-8-19/h5-6,19-20,26H,7-16H2,1-4H3/p+1/t20-/m0/s1