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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(C[NH+]1CC2=NC3=CC=CC=C3C=C2)CCO)CC4=CSC=C4

Isomeric SMILES

C1CN([C@H](C[NH+]1CC2=NC3=CC=CC=C3C=C2)CCO)CC4=CSC=C4

InChI

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