2-[(2S)-4-(cyclohexylmethyl)-1-(thiophen-3-ylmethyl)piperazin-4-ium-2-yl]ethanol

Systemtic Name: 2-[(2S)-4-(cyclohexylmethyl)-1-(thiophen-3-ylmethyl)piperazin-4-ium-2-yl]ethanol Openeye Name: 2-[(2S)-4-(cyclohexylmethyl)-1-(3-thienylmethyl)piperazin-4-ium-2-yl]ethanol CAS Name: 2-[(2S)-4-(cyclohexylmethyl)-1-(3-thiophenylmethyl)-2-piperazin-4-iumyl]ethanol IUPAC Name: 2-[(2S)-4-(cyclohexylmethyl)-1-(thiophen-3-ylmethyl)piperazin-4-ium-2-yl]ethanol Traditional Name: 2-[(2S)-4-(cyclohexylmethyl)-1-(3-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=CSC=C3

Isomeric SMILES

C1CCC(CC1)C[NH+]2CCN([C@H](C2)CCO)CC3=CSC=C3

InChI

InChI=1S/C18H30N2OS/c21-10-6-18-14-19(12-16-4-2-1-3-5-16)8-9-20(18)13-17-7-11-22-15-17/h7,11,15-16,18,21H,1-6,8-10,12-14H2/p+1/t18-/m0/s1