N-(4-tert-butylphenyl)-4-(pyrrolidin-1-ium-1-ylmethyl)benzamide

Systemtic Name: N-(4-tert-butylphenyl)-4-(pyrrolidin-1-ium-1-ylmethyl)benzamide Openeye Name: N-(4-tert-butylphenyl)-4-(pyrrolidin-1-ium-1-ylmethyl)benzamide CAS Name: N-(4-tert-butylphenyl)-4-(1-pyrrolidin-1-iumylmethyl)benzamide IUPAC Name: N-(4-tert-butylphenyl)-4-(pyrrolidin-1-ium-1-ylmethyl)benzamide Traditional Name: N-(4-tert-butylphenyl)-4-(pyrrolidin-1-ium-1-ylmethyl)benzamide Formula: C22H29N2O+ MolecularWeight: 337.47846

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H28N2O/c1-22(2,3)19-10-12-20(13-11-19)23-21(25)18-8-6-17(7-9-18)16-24-14-4-5-15-24/h6-13H,4-5,14-16H2,1-3H3,(H,23,25)/p+1