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

Systemtic Name: 2-[(2S)-4-[(2-prop-2-enoxyphenyl)methyl]-1-(thiophen-3-ylmethyl)piperazin-1-ium-2-yl]ethanol Openeye Name: 2-[(2S)-4-[(2-allyloxyphenyl)methyl]-1-(3-thienylmethyl)piperazin-1-ium-2-yl]ethanol CAS Name: 2-[(2S)-4-[(2-prop-2-enoxyphenyl)methyl]-1-(3-thiophenylmethyl)-2-piperazin-1-iumyl]ethanol IUPAC Name: 2-[(2S)-4-[(2-prop-2-enoxyphenyl)methyl]-1-(thiophen-3-ylmethyl)piperazin-1-ium-2-yl]ethanol Traditional Name: 2-[(2S)-4-(2-allyloxybenzyl)-1-(3-thenyl)piperazin-1-ium-2-yl]ethanol Formula: C21H29N2O2S+ MolecularWeight: 373.53216

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Descriptors Computed from Structure

Canonical SMILES:

C=CCOC1=CC=CC=C1CN2CC[NH+](C(C2)CCO)CC3=CSC=C3

Isomeric SMILES

C=CCOC1=CC=CC=C1CN2CC[NH+]([C@H](C2)CCO)CC3=CSC=C3

InChI

InChI=1S/C21H28N2O2S/c1-2-12-25-21-6-4-3-5-19(21)15-22-9-10-23(20(16-22)7-11-24)14-18-8-13-26-17-18/h2-6,8,13,17,20,24H,1,7,9-12,14-16H2/p+1/t20-/m0/s1