2-[(2S)-1-[(4-methoxy-3-methyl-phenyl)methyl]-4-[(5-methylthiophen-2-yl)methyl]piperazin-4-ium-2-yl]ethanol

Systemtic Name: 2-[(2S)-1-[(4-methoxy-3-methyl-phenyl)methyl]-4-[(5-methylthiophen-2-yl)methyl]piperazin-4-ium-2-yl]ethanol Openeye Name: 2-[(2S)-1-[(4-methoxy-3-methyl-phenyl)methyl]-4-[(5-methyl-2-thienyl)methyl]piperazin-4-ium-2-yl]ethanol CAS Name: 2-[(2S)-1-[(4-methoxy-3-methylphenyl)methyl]-4-[(5-methyl-2-thiophenyl)methyl]-2-piperazin-4-iumyl]ethanol IUPAC Name: 2-[(2S)-1-[(4-methoxy-3-methylphenyl)methyl]-4-[(5-methylthiophen-2-yl)methyl]piperazin-4-ium-2-yl]ethanol Traditional Name: 2-[(2S)-1-(4-methoxy-3-methyl-benzyl)-4-[(5-methyl-2-thienyl)methyl]piperazin-4-ium-2-yl]ethanol Formula: C21H31N2O2S+ MolecularWeight: 375.54804

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(S1)C[NH+]2CCN(C(C2)CCO)CC3=CC(=C(C=C3)OC)C

Isomeric SMILES

CC1=CC=C(S1)C[NH+]2CCN([C@H](C2)CCO)CC3=CC(=C(C=C3)OC)C

InChI

InChI=1S/C21H30N2O2S/c1-16-12-18(5-7-21(16)25-3)13-23-10-9-22(14-19(23)8-11-24)15-20-6-4-17(2)26-20/h4-7,12,19,24H,8-11,13-15H2,1-3H3/p+1/t19-/m0/s1