2-[(2S)-4-(quinolin-8-ylmethyl)-1-(thiophen-3-ylmethyl)piperazin-1-ium-2-yl]ethanol

Systemtic Name: 2-[(2S)-4-(quinolin-8-ylmethyl)-1-(thiophen-3-ylmethyl)piperazin-1-ium-2-yl]ethanol Openeye Name: 2-[(2S)-4-(8-quinolylmethyl)-1-(3-thienylmethyl)piperazin-1-ium-2-yl]ethanol CAS Name: 2-[(2S)-4-(8-quinolinylmethyl)-1-(3-thiophenylmethyl)-2-piperazin-1-iumyl]ethanol IUPAC Name: 2-[(2S)-4-(quinolin-8-ylmethyl)-1-(thiophen-3-ylmethyl)piperazin-1-ium-2-yl]ethanol Traditional Name: 2-[(2S)-4-(8-quinolylmethyl)-1-(3-thenyl)piperazin-1-ium-2-yl]ethanol Formula: C21H26N3OS+ MolecularWeight: 368.51564

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC([NH+]1CC2=CSC=C2)CCO)CC3=CC=CC4=C3N=CC=C4

Isomeric SMILES

C1CN(C[C@@H]([NH+]1CC2=CSC=C2)CCO)CC3=CC=CC4=C3N=CC=C4

InChI

InChI=1S/C21H25N3OS/c25-11-6-20-15-23(9-10-24(20)13-17-7-12-26-16-17)14-19-4-1-3-18-5-2-8-22-21(18)19/h1-5,7-8,12,16,20,25H,6,9-11,13-15H2/p+1/t20-/m0/s1