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

Systemtic Name: 2-[(2S)-4-[(1-methylindol-3-yl)methyl]-1-(thiophen-3-ylmethyl)piperazin-4-ium-2-yl]ethanol Openeye Name: 2-[(2S)-4-[(1-methylindol-3-yl)methyl]-1-(3-thienylmethyl)piperazin-4-ium-2-yl]ethanol CAS Name: 2-[(2S)-4-[(1-methyl-3-indolyl)methyl]-1-(3-thiophenylmethyl)-2-piperazin-4-iumyl]ethanol IUPAC Name: 2-[(2S)-4-[(1-methylindol-3-yl)methyl]-1-(thiophen-3-ylmethyl)piperazin-4-ium-2-yl]ethanol Traditional Name: 2-[(2S)-4-[(1-methylindol-3-yl)methyl]-1-(3-thenyl)piperazin-4-ium-2-yl]ethanol Formula: C21H28N3OS+ MolecularWeight: 370.53152

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C2=CC=CC=C21)C[NH+]3CCN(C(C3)CCO)CC4=CSC=C4

Isomeric SMILES

CN1C=C(C2=CC=CC=C21)C[NH+]3CCN([C@H](C3)CCO)CC4=CSC=C4

InChI

InChI=1S/C21H27N3OS/c1-22-13-18(20-4-2-3-5-21(20)22)14-23-8-9-24(19(15-23)6-10-25)12-17-7-11-26-16-17/h2-5,7,11,13,16,19,25H,6,8-10,12,14-15H2,1H3/p+1/t19-/m0/s1