[2-[4-(diphenylmethyl)piperazin-4-ium-1-yl]-2-oxidanylidene-ethyl]-[(1S)-1-thiophen-2-ylethyl]azanium

Systemtic Name: [2-[4-(diphenylmethyl)piperazin-4-ium-1-yl]-2-oxidanylidene-ethyl]-[(1S)-1-thiophen-2-ylethyl]azanium Openeye Name: [2-(4-benzhydrylpiperazin-4-ium-1-yl)-2-oxo-ethyl]-[(1S)-1-(2-thienyl)ethyl]ammonium CAS Name: [2-[4-(diphenylmethyl)-1-piperazin-4-iumyl]-2-oxoethyl]-[(1S)-1-thiophen-2-ylethyl]ammonium IUPAC Name: [2-(4-benzhydrylpiperazin-4-ium-1-yl)-2-oxoethyl]-[(1S)-1-thiophen-2-ylethyl]azanium Traditional Name: [2-(4-benzhydrylpiperazin-4-ium-1-yl)-2-keto-ethyl]-[(1S)-1-(2-thienyl)ethyl]ammonium Formula: C25H31N3OS+2 MolecularWeight: 421.59814

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CS1)[NH2+]CC(=O)N2CC[NH+](CC2)C(C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

C[C@@H](C1=CC=CS1)[NH2+]CC(=O)N2CC[NH+](CC2)C(C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C25H29N3OS/c1-20(23-13-8-18-30-23)26-19-24(29)27-14-16-28(17-15-27)25(21-9-4-2-5-10-21)22-11-6-3-7-12-22/h2-13,18,20,25-26H,14-17,19H2,1H3/p+2/t20-/m0/s1