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

Systemtic Name: 2-[(2S)-1-(3-methylbut-2-enyl)-4-[(3-methylthiophen-2-yl)methyl]piperazin-1-ium-2-yl]ethanol Openeye Name: 2-[(2S)-1-(3-methylbut-2-enyl)-4-[(3-methyl-2-thienyl)methyl]piperazin-1-ium-2-yl]ethanol CAS Name: 2-[(2S)-1-(3-methylbut-2-enyl)-4-[(3-methyl-2-thiophenyl)methyl]-2-piperazin-1-iumyl]ethanol IUPAC Name: 2-[(2S)-1-(3-methylbut-2-enyl)-4-[(3-methylthiophen-2-yl)methyl]piperazin-1-ium-2-yl]ethanol Traditional Name: 2-[(2S)-1-(3-methylbut-2-enyl)-4-[(3-methyl-2-thienyl)methyl]piperazin-1-ium-2-yl]ethanol Formula: C17H29N2OS+ MolecularWeight: 309.48996

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC=C1)CN2CC[NH+](C(C2)CCO)CC=C(C)C

Isomeric SMILES

CC1=C(SC=C1)CN2CC[NH+]([C@H](C2)CCO)CC=C(C)C

InChI

InChI=1S/C17H28N2OS/c1-14(2)4-7-19-9-8-18(12-16(19)5-10-20)13-17-15(3)6-11-21-17/h4,6,11,16,20H,5,7-10,12-13H2,1-3H3/p+1/t16-/m0/s1