4-tert-butyl-N-[3-[4-[(3-fluoranyl-4-methoxy-phenyl)methyl]piperazin-4-ium-1-yl]-3-oxidanylidene-propyl]benzamide

Systemtic Name: 4-tert-butyl-N-[3-[4-[(3-fluoranyl-4-methoxy-phenyl)methyl]piperazin-4-ium-1-yl]-3-oxidanylidene-propyl]benzamide Openeye Name: 4-tert-butyl-N-[3-[4-[(3-fluoro-4-methoxy-phenyl)methyl]piperazin-4-ium-1-yl]-3-oxo-propyl]benzamide CAS Name: 4-tert-butyl-N-[3-[4-[(3-fluoro-4-methoxyphenyl)methyl]-1-piperazin-4-iumyl]-3-oxopropyl]benzamide IUPAC Name: 4-tert-butyl-N-[3-[4-[(3-fluoro-4-methoxyphenyl)methyl]piperazin-4-ium-1-yl]-3-oxopropyl]benzamide Traditional Name: 4-tert-butyl-N-[3-[4-(3-fluoro-4-methoxy-benzyl)piperazin-4-ium-1-yl]-3-keto-propyl]benzamide Formula: C26H35FN3O3+ MolecularWeight: 456.572803

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(=O)NCCC(=O)N2CC[NH+](CC2)CC3=CC(=C(C=C3)OC)F

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)NCCC(=O)N2CC[NH+](CC2)CC3=CC(=C(C=C3)OC)F

InChI

InChI=1S/C26H34FN3O3/c1-26(2,3)21-8-6-20(7-9-21)25(32)28-12-11-24(31)30-15-13-29(14-16-30)18-19-5-10-23(33-4)22(27)17-19/h5-10,17H,11-16,18H2,1-4H3,(H,28,32)/p+1