4-oxidanylidene-N-[4-[4-(phenylmethyl)piperazin-4-ium-1-yl]phenyl]-4-thiophen-2-yl-butanamide

Systemtic Name: 4-oxidanylidene-N-[4-[4-(phenylmethyl)piperazin-4-ium-1-yl]phenyl]-4-thiophen-2-yl-butanamide Openeye Name: N-[4-(4-benzylpiperazin-4-ium-1-yl)phenyl]-4-oxo-4-(2-thienyl)butanamide CAS Name: 4-oxo-N-[4-[4-(phenylmethyl)-1-piperazin-4-iumyl]phenyl]-4-thiophen-2-ylbutanamide IUPAC Name: N-[4-(4-benzylpiperazin-4-ium-1-yl)phenyl]-4-oxo-4-thiophen-2-ylbutanamide Traditional Name: N-[4-(4-benzylpiperazin-4-ium-1-yl)phenyl]-4-keto-4-(2-thienyl)butyramide Formula: C25H28N3O2S+ MolecularWeight: 434.57372

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC=C2)C3=CC=C(C=C3)NC(=O)CCC(=O)C4=CC=CS4

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC=C2)C3=CC=C(C=C3)NC(=O)CCC(=O)C4=CC=CS4

InChI

InChI=1S/C25H27N3O2S/c29-23(24-7-4-18-31-24)12-13-25(30)26-21-8-10-22(11-9-21)28-16-14-27(15-17-28)19-20-5-2-1-3-6-20/h1-11,18H,12-17,19H2,(H,26,30)/p+1