4-[(2R)-1-oxidanylidene-1-[4-(thiophen-2-ylmethyl)piperazin-4-ium-1-yl]propan-2-yl]oxybenzenecarbonitrile

Systemtic Name: 4-[(2R)-1-oxidanylidene-1-[4-(thiophen-2-ylmethyl)piperazin-4-ium-1-yl]propan-2-yl]oxybenzenecarbonitrile Openeye Name: 4-[(1R)-1-methyl-2-oxo-2-[4-(2-thienylmethyl)piperazin-4-ium-1-yl]ethoxy]benzonitrile CAS Name: 4-[(2R)-1-oxo-1-[4-(thiophen-2-ylmethyl)-1-piperazin-4-iumyl]propan-2-yl]oxybenzonitrile IUPAC Name: 4-[(2R)-1-oxo-1-[4-(thiophen-2-ylmethyl)piperazin-4-ium-1-yl]propan-2-yl]oxybenzonitrile Traditional Name: 4-[(1R)-2-keto-1-methyl-2-[4-(2-thenyl)piperazin-4-ium-1-yl]ethoxy]benzonitrile Formula: C19H22N3O2S+ MolecularWeight: 356.46188

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CC[NH+](CC1)CC2=CC=CS2)OC3=CC=C(C=C3)C#N

Isomeric SMILES

C[C@H](C(=O)N1CC[NH+](CC1)CC2=CC=CS2)OC3=CC=C(C=C3)C#N

InChI

InChI=1S/C19H21N3O2S/c1-15(24-17-6-4-16(13-20)5-7-17)19(23)22-10-8-21(9-11-22)14-18-3-2-12-25-18/h2-7,12,15H,8-11,14H2,1H3/p+1/t15-/m1/s1