4-tert-butyl-N-[(2R)-1-oxidanylidene-1-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methylamino]propan-2-yl]benzamide

Systemtic Name: 4-tert-butyl-N-[(2R)-1-oxidanylidene-1-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methylamino]propan-2-yl]benzamide Openeye Name: 4-tert-butyl-N-[(1R)-1-methyl-2-oxo-2-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methylamino]ethyl]benzamide CAS Name: 4-tert-butyl-N-[(2R)-1-oxo-1-[[4-(1-pyrrolidin-1-iumylmethyl)phenyl]methylamino]propan-2-yl]benzamide IUPAC Name: 4-tert-butyl-N-[(2R)-1-oxo-1-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methylamino]propan-2-yl]benzamide Traditional Name: 4-tert-butyl-N-[(1R)-2-keto-1-methyl-2-[[4-(pyrrolidin-1-ium-1-ylmethyl)benzyl]amino]ethyl]benzamide Formula: C26H36N3O2+ MolecularWeight: 422.58294

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1=CC=C(C=C1)C[NH+]2CCCC2)NC(=O)C3=CC=C(C=C3)C(C)(C)C

Isomeric SMILES

C[C@H](C(=O)NCC1=CC=C(C=C1)C[NH+]2CCCC2)NC(=O)C3=CC=C(C=C3)C(C)(C)C

InChI

InChI=1S/C26H35N3O2/c1-19(28-25(31)22-11-13-23(14-12-22)26(2,3)4)24(30)27-17-20-7-9-21(10-8-20)18-29-15-5-6-16-29/h7-14,19H,5-6,15-18H2,1-4H3,(H,27,30)(H,28,31)/p+1/t19-/m1/s1