4-[[4-[(3S)-1-thiophen-2-ylcarbonylpiperidin-3-yl]carbonylpiperazin-1-ium-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 4-[[4-[(3S)-1-thiophen-2-ylcarbonylpiperidin-3-yl]carbonylpiperazin-1-ium-1-yl]methyl]benzenecarbonitrile Openeye Name: 4-[[4-[(3S)-1-(thiophene-2-carbonyl)piperidine-3-carbonyl]piperazin-1-ium-1-yl]methyl]benzonitrile CAS Name: 4-[[4-[oxo-[(3S)-1-[oxo(thiophen-2-yl)methyl]-3-piperidinyl]methyl]-1-piperazin-1-iumyl]methyl]benzonitrile IUPAC Name: 4-[[4-[(3S)-1-(thiophene-2-carbonyl)piperidine-3-carbonyl]piperazin-1-ium-1-yl]methyl]benzonitrile Traditional Name: 4-[[4-[(3S)-1-(2-thenoyl)nipecotoyl]piperazin-1-ium-1-yl]methyl]benzonitrile Formula: C23H27N4O2S+ MolecularWeight: 423.55108

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(=O)C2=CC=CS2)C(=O)N3CC[NH+](CC3)CC4=CC=C(C=C4)C#N

Isomeric SMILES

C1C[C@@H](CN(C1)C(=O)C2=CC=CS2)C(=O)N3CC[NH+](CC3)CC4=CC=C(C=C4)C#N

InChI

InChI=1S/C23H26N4O2S/c24-15-18-5-7-19(8-6-18)16-25-10-12-26(13-11-25)22(28)20-3-1-9-27(17-20)23(29)21-4-2-14-30-21/h2,4-8,14,20H,1,3,9-13,16-17H2/p+1/t20-/m0/s1