4-tert-butyl-N-[3-oxidanylidene-3-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]amino]propyl]benzamide

Systemtic Name: 4-tert-butyl-N-[3-oxidanylidene-3-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]amino]propyl]benzamide Openeye Name: 4-tert-butyl-N-[3-oxo-3-[4-(pyrrolidin-1-ium-1-ylmethyl)anilino]propyl]benzamide CAS Name: 4-tert-butyl-N-[3-oxo-3-[4-(1-pyrrolidin-1-iumylmethyl)anilino]propyl]benzamide IUPAC Name: 4-tert-butyl-N-[3-oxo-3-[4-(pyrrolidin-1-ium-1-ylmethyl)anilino]propyl]benzamide Traditional Name: 4-tert-butyl-N-[3-keto-3-[4-(pyrrolidin-1-ium-1-ylmethyl)anilino]propyl]benzamide Formula: C25H34N3O2+ MolecularWeight: 408.55636

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(=O)NCCC(=O)NC2=CC=C(C=C2)C[NH+]3CCCC3

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)NCCC(=O)NC2=CC=C(C=C2)C[NH+]3CCCC3

InChI

InChI=1S/C25H33N3O2/c1-25(2,3)21-10-8-20(9-11-21)24(30)26-15-14-23(29)27-22-12-6-19(7-13-22)18-28-16-4-5-17-28/h6-13H,4-5,14-18H2,1-3H3,(H,26,30)(H,27,29)/p+1