2-[(2S)-4-(cyclohexylmethyl)-1-(thiophen-2-ylmethyl)piperazin-4-ium-2-yl]ethanol

Systemtic Name: 2-[(2S)-4-(cyclohexylmethyl)-1-(thiophen-2-ylmethyl)piperazin-4-ium-2-yl]ethanol Openeye Name: 2-[(2S)-4-(cyclohexylmethyl)-1-(2-thienylmethyl)piperazin-4-ium-2-yl]ethanol CAS Name: 2-[(2S)-4-(cyclohexylmethyl)-1-(thiophen-2-ylmethyl)-2-piperazin-4-iumyl]ethanol IUPAC Name: 2-[(2S)-4-(cyclohexylmethyl)-1-(thiophen-2-ylmethyl)piperazin-4-ium-2-yl]ethanol Traditional Name: 2-[(2S)-4-(cyclohexylmethyl)-1-(2-thenyl)piperazin-4-ium-2-yl]ethanol Formula: C18H31N2OS+ MolecularWeight: 323.51654

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C[NH+]2CCN(C(C2)CCO)CC3=CC=CS3

Isomeric SMILES

C1CCC(CC1)C[NH+]2CCN([C@H](C2)CCO)CC3=CC=CS3

InChI

InChI=1S/C18H30N2OS/c21-11-8-17-14-19(13-16-5-2-1-3-6-16)9-10-20(17)15-18-7-4-12-22-18/h4,7,12,16-17,21H,1-3,5-6,8-11,13-15H2/p+1/t17-/m0/s1