3-oxidanyl-N-(phenylmethyl)-4-[(4-thiophen-2-ylcarbonylpiperazin-1-ium-1-yl)methyl]naphthalene-2-carboxamide

Systemtic Name: 3-oxidanyl-N-(phenylmethyl)-4-[(4-thiophen-2-ylcarbonylpiperazin-1-ium-1-yl)methyl]naphthalene-2-carboxamide Openeye Name: N-benzyl-3-hydroxy-4-[[4-(thiophene-2-carbonyl)piperazin-1-ium-1-yl]methyl]naphthalene-2-carboxamide CAS Name: 3-hydroxy-4-[[4-[oxo(thiophen-2-yl)methyl]-1-piperazin-1-iumyl]methyl]-N-(phenylmethyl)-2-naphthalenecarboxamide IUPAC Name: N-benzyl-3-hydroxy-4-[[4-(thiophene-2-carbonyl)piperazin-1-ium-1-yl]methyl]naphthalene-2-carboxamide Traditional Name: N-benzyl-3-hydroxy-4-[[4-(2-thenoyl)piperazin-1-ium-1-yl]methyl]-2-naphthamide Formula: C28H28N3O3S+ MolecularWeight: 486.60522

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=C(C(=CC3=CC=CC=C32)C(=O)NCC4=CC=CC=C4)O)C(=O)C5=CC=CS5

Isomeric SMILES

C1CN(CC[NH+]1CC2=C(C(=CC3=CC=CC=C32)C(=O)NCC4=CC=CC=C4)O)C(=O)C5=CC=CS5

InChI

InChI=1S/C28H27N3O3S/c32-26-23(27(33)29-18-20-7-2-1-3-8-20)17-21-9-4-5-10-22(21)24(26)19-30-12-14-31(15-13-30)28(34)25-11-6-16-35-25/h1-11,16-17,32H,12-15,18-19H2,(H,29,33)/p+1