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

Systemtic Name: 2-[(2S)-1-[(2-methylphenyl)methyl]-4-[(5-methylthiophen-2-yl)methyl]piperazin-4-ium-2-yl]ethanol Openeye Name: 2-[(2S)-4-[(5-methyl-2-thienyl)methyl]-1-(o-tolylmethyl)piperazin-4-ium-2-yl]ethanol CAS Name: 2-[(2S)-1-[(2-methylphenyl)methyl]-4-[(5-methyl-2-thiophenyl)methyl]-2-piperazin-4-iumyl]ethanol IUPAC Name: 2-[(2S)-1-[(2-methylphenyl)methyl]-4-[(5-methylthiophen-2-yl)methyl]piperazin-4-ium-2-yl]ethanol Traditional Name: 2-[(2S)-1-(2-methylbenzyl)-4-[(5-methyl-2-thienyl)methyl]piperazin-4-ium-2-yl]ethanol Formula: C20H29N2OS+ MolecularWeight: 345.52206

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CN2CC[NH+](CC2CCO)CC3=CC=C(S3)C

Isomeric SMILES

CC1=CC=CC=C1CN2CC[NH+](C[C@@H]2CCO)CC3=CC=C(S3)C

InChI

InChI=1S/C20H28N2OS/c1-16-5-3-4-6-18(16)13-22-11-10-21(14-19(22)9-12-23)15-20-8-7-17(2)24-20/h3-8,19,23H,9-15H2,1-2H3/p+1/t19-/m0/s1