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

Systemtic Name: 2-[(2S)-1-[(3-methoxyphenyl)methyl]-4-[(5-methylthiophen-2-yl)methyl]piperazin-4-ium-2-yl]ethanol Openeye Name: 2-[(2S)-1-[(3-methoxyphenyl)methyl]-4-[(5-methyl-2-thienyl)methyl]piperazin-4-ium-2-yl]ethanol CAS Name: 2-[(2S)-1-[(3-methoxyphenyl)methyl]-4-[(5-methyl-2-thiophenyl)methyl]-2-piperazin-4-iumyl]ethanol IUPAC Name: 2-[(2S)-1-[(3-methoxyphenyl)methyl]-4-[(5-methylthiophen-2-yl)methyl]piperazin-4-ium-2-yl]ethanol Traditional Name: 2-[(2S)-1-m-anisyl-4-[(5-methyl-2-thienyl)methyl]piperazin-4-ium-2-yl]ethanol Formula: C20H29N2O2S+ MolecularWeight: 361.52146

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H28N2O2S/c1-16-6-7-20(25-16)15-21-9-10-22(18(14-21)8-11-23)13-17-4-3-5-19(12-17)24-2/h3-7,12,18,23H,8-11,13-15H2,1-2H3/p+1/t18-/m0/s1