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

Systemtic Name: 4-[4-(diphenylmethyl)piperazin-4-ium-1-yl]-N-(furan-2-ylmethyl)-4-oxidanylidene-butanamide Openeye Name: 4-(4-benzhydrylpiperazin-4-ium-1-yl)-N-(2-furylmethyl)-4-oxo-butanamide CAS Name: 4-[4-(diphenylmethyl)-1-piperazin-4-iumyl]-N-(2-furanylmethyl)-4-oxobutanamide IUPAC Name: 4-(4-benzhydrylpiperazin-4-ium-1-yl)-N-(furan-2-ylmethyl)-4-oxobutanamide Traditional Name: 4-(4-benzhydrylpiperazin-4-ium-1-yl)-N-(2-furfuryl)-4-keto-butyramide Formula: C26H30N3O3+ MolecularWeight: 432.5347

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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=CO4

Isomeric SMILES

C1CN(CC[NH+]1C(C2=CC=CC=C2)C3=CC=CC=C3)C(=O)CCC(=O)NCC4=CC=CO4

InChI

InChI=1S/C26H29N3O3/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