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

Systemtic Name: 2-[(2S)-4-(3-phenylpropyl)-1-(thiophen-2-ylmethyl)piperazin-4-ium-2-yl]ethanol Openeye Name: 2-[(2S)-4-(3-phenylpropyl)-1-(2-thienylmethyl)piperazin-4-ium-2-yl]ethanol CAS Name: 2-[(2S)-4-(3-phenylpropyl)-1-(thiophen-2-ylmethyl)-2-piperazin-4-iumyl]ethanol IUPAC Name: 2-[(2S)-4-(3-phenylpropyl)-1-(thiophen-2-ylmethyl)piperazin-4-ium-2-yl]ethanol Traditional Name: 2-[(2S)-4-(3-phenylpropyl)-1-(2-thenyl)piperazin-4-ium-2-yl]ethanol Formula: C20H29N2OS+ MolecularWeight: 345.52206

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(C[NH+]1CCCC2=CC=CC=C2)CCO)CC3=CC=CS3

Isomeric SMILES

C1CN([C@H](C[NH+]1CCCC2=CC=CC=C2)CCO)CC3=CC=CS3

InChI

InChI=1S/C20H28N2OS/c23-14-10-19-16-21(11-4-8-18-6-2-1-3-7-18)12-13-22(19)17-20-9-5-15-24-20/h1-3,5-7,9,15,19,23H,4,8,10-14,16-17H2/p+1/t19-/m0/s1