2-[(2S)-4-[(Z)-2-chloranyl-3-phenyl-prop-2-enyl]-1-(thiophen-3-ylmethyl)piperazin-1-ium-2-yl]ethanol

Systemtic Name: 2-[(2S)-4-[(Z)-2-chloranyl-3-phenyl-prop-2-enyl]-1-(thiophen-3-ylmethyl)piperazin-1-ium-2-yl]ethanol Openeye Name: 2-[(2S)-4-[(Z)-2-chloro-3-phenyl-allyl]-1-(3-thienylmethyl)piperazin-1-ium-2-yl]ethanol CAS Name: 2-[(2S)-4-[(Z)-2-chloro-3-phenylprop-2-enyl]-1-(3-thiophenylmethyl)-2-piperazin-1-iumyl]ethanol IUPAC Name: 2-[(2S)-4-[(Z)-2-chloro-3-phenylprop-2-enyl]-1-(thiophen-3-ylmethyl)piperazin-1-ium-2-yl]ethanol Traditional Name: 2-[(2S)-4-[(Z)-2-chloro-3-phenyl-allyl]-1-(3-thenyl)piperazin-1-ium-2-yl]ethanol Formula: C20H26ClN2OS+ MolecularWeight: 377.95124

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC([NH+]1CC2=CSC=C2)CCO)CC(=CC3=CC=CC=C3)Cl

Isomeric SMILES

C1CN(C[C@@H]([NH+]1CC2=CSC=C2)CCO)C/C(=C/C3=CC=CC=C3)/Cl

InChI

InChI=1S/C20H25ClN2OS/c21-19(12-17-4-2-1-3-5-17)14-22-8-9-23(20(15-22)6-10-24)13-18-7-11-25-16-18/h1-5,7,11-12,16,20,24H,6,8-10,13-15H2/p+1/b19-12-/t20-/m0/s1