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

Systemtic Name: 2-[(2S)-4-[(5-methylthiophen-2-yl)methyl]-1-(3-phenylpropyl)piperazin-1-ium-2-yl]ethanol Openeye Name: 2-[(2S)-4-[(5-methyl-2-thienyl)methyl]-1-(3-phenylpropyl)piperazin-1-ium-2-yl]ethanol CAS Name: 2-[(2S)-4-[(5-methyl-2-thiophenyl)methyl]-1-(3-phenylpropyl)-2-piperazin-1-iumyl]ethanol IUPAC Name: 2-[(2S)-4-[(5-methylthiophen-2-yl)methyl]-1-(3-phenylpropyl)piperazin-1-ium-2-yl]ethanol Traditional Name: 2-[(2S)-4-[(5-methyl-2-thienyl)methyl]-1-(3-phenylpropyl)piperazin-1-ium-2-yl]ethanol Formula: C21H31N2OS+ MolecularWeight: 359.54864

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(S1)CN2CC[NH+](C(C2)CCO)CCCC3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(S1)CN2CC[NH+]([C@H](C2)CCO)CCCC3=CC=CC=C3

InChI

InChI=1S/C21H30N2OS/c1-18-9-10-21(25-18)17-22-13-14-23(20(16-22)11-15-24)12-5-8-19-6-3-2-4-7-19/h2-4,6-7,9-10,20,24H,5,8,11-17H2,1H3/p+1/t20-/m0/s1