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

Systemtic Name: 2-[(2S)-4-(1H-indol-3-ylmethyl)-1-(thiophen-3-ylmethyl)piperazin-4-ium-2-yl]ethanol Openeye Name: 2-[(2S)-4-(1H-indol-3-ylmethyl)-1-(3-thienylmethyl)piperazin-4-ium-2-yl]ethanol CAS Name: 2-[(2S)-4-(1H-indol-3-ylmethyl)-1-(3-thiophenylmethyl)-2-piperazin-4-iumyl]ethanol IUPAC Name: 2-[(2S)-4-(1H-indol-3-ylmethyl)-1-(thiophen-3-ylmethyl)piperazin-4-ium-2-yl]ethanol Traditional Name: 2-[(2S)-4-(1H-indol-3-ylmethyl)-1-(3-thenyl)piperazin-4-ium-2-yl]ethanol Formula: C20H26N3OS+ MolecularWeight: 356.50494

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(C[NH+]1CC2=CNC3=CC=CC=C32)CCO)CC4=CSC=C4

Isomeric SMILES

C1CN([C@H](C[NH+]1CC2=CNC3=CC=CC=C32)CCO)CC4=CSC=C4

InChI

InChI=1S/C20H25N3OS/c24-9-5-18-14-22(7-8-23(18)12-16-6-10-25-15-16)13-17-11-21-20-4-2-1-3-19(17)20/h1-4,6,10-11,15,18,21,24H,5,7-9,12-14H2/p+1/t18-/m0/s1