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

Systemtic Name: 2-[(2S)-1-(3-methylbutyl)-4-[(5-methylthiophen-2-yl)methyl]piperazin-1-ium-2-yl]ethanol Openeye Name: 2-[(2S)-1-isopentyl-4-[(5-methyl-2-thienyl)methyl]piperazin-1-ium-2-yl]ethanol CAS Name: 2-[(2S)-1-(3-methylbutyl)-4-[(5-methyl-2-thiophenyl)methyl]-2-piperazin-1-iumyl]ethanol IUPAC Name: 2-[(2S)-1-(3-methylbutyl)-4-[(5-methylthiophen-2-yl)methyl]piperazin-1-ium-2-yl]ethanol Traditional Name: 2-[(2S)-1-isoamyl-4-[(5-methyl-2-thienyl)methyl]piperazin-1-ium-2-yl]ethanol Formula: C17H31N2OS+ MolecularWeight: 311.50584

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H30N2OS/c1-14(2)6-8-19-10-9-18(12-16(19)7-11-20)13-17-5-4-15(3)21-17/h4-5,14,16,20H,6-13H2,1-3H3/p+1/t16-/m0/s1