4-[4-(diphenylmethyl)piperazin-4-ium-1-yl]-4-oxidanylidene-N-(thiophen-2-ylmethyl)butanamide

Systemtic Name: 4-[4-(diphenylmethyl)piperazin-4-ium-1-yl]-4-oxidanylidene-N-(thiophen-2-ylmethyl)butanamide Openeye Name: 4-(4-benzhydrylpiperazin-4-ium-1-yl)-4-oxo-N-(2-thienylmethyl)butanamide CAS Name: 4-[4-(diphenylmethyl)-1-piperazin-4-iumyl]-4-oxo-N-(thiophen-2-ylmethyl)butanamide IUPAC Name: 4-(4-benzhydrylpiperazin-4-ium-1-yl)-4-oxo-N-(thiophen-2-ylmethyl)butanamide Traditional Name: 4-(4-benzhydrylpiperazin-4-ium-1-yl)-4-keto-N-(2-thenyl)butyramide Formula: C26H30N3O2S+ MolecularWeight: 448.6003

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1C(C2=CC=CC=C2)C3=CC=CC=C3)C(=O)CCC(=O)NCC4=CC=CS4

Isomeric SMILES

C1CN(CC[NH+]1C(C2=CC=CC=C2)C3=CC=CC=C3)C(=O)CCC(=O)NCC4=CC=CS4

InChI

InChI=1S/C26H29N3O2S/c30-24(27-20-23-12-7-19-32-23)13-14-25(31)28-15-17-29(18-16-28)26(21-8-3-1-4-9-21)22-10-5-2-6-11-22/h1-12,19,26H,13-18,20H2,(H,27,30)/p+1