[4-(diphenylmethyl)piperazin-4-ium-1-yl]-(4-thiophen-2-yloxan-4-yl)methanone

Systemtic Name: [4-(diphenylmethyl)piperazin-4-ium-1-yl]-(4-thiophen-2-yloxan-4-yl)methanone Openeye Name: (4-benzhydrylpiperazin-4-ium-1-yl)-[4-(2-thienyl)tetrahydropyran-4-yl]methanone CAS Name: [4-(diphenylmethyl)-1-piperazin-4-iumyl]-(4-thiophen-2-yl-4-oxanyl)methanone IUPAC Name: (4-benzhydrylpiperazin-4-ium-1-yl)-(4-thiophen-2-yloxan-4-yl)methanone Traditional Name: (4-benzhydrylpiperazin-4-ium-1-yl)-[4-(2-thienyl)tetrahydropyran-4-yl]methanone Formula: C27H31N2O2S+ MolecularWeight: 447.61224

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COCCC1(C2=CC=CS2)C(=O)N3CC[NH+](CC3)C(C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

C1COCCC1(C2=CC=CS2)C(=O)N3CC[NH+](CC3)C(C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C27H30N2O2S/c30-26(27(13-19-31-20-14-27)24-12-7-21-32-24)29-17-15-28(16-18-29)25(22-8-3-1-4-9-22)23-10-5-2-6-11-23/h1-12,21,25H,13-20H2/p+1