3,5-ditert-butyl-N-(2-pyrrolidin-1-ium-1-ylethyl)benzamide

Systemtic Name: 3,5-ditert-butyl-N-(2-pyrrolidin-1-ium-1-ylethyl)benzamide Openeye Name: 3,5-ditert-butyl-N-(2-pyrrolidin-1-ium-1-ylethyl)benzamide CAS Name: 3,5-ditert-butyl-N-[2-(1-pyrrolidin-1-iumyl)ethyl]benzamide IUPAC Name: 3,5-ditert-butyl-N-(2-pyrrolidin-1-ium-1-ylethyl)benzamide Traditional Name: 3,5-ditert-butyl-N-(2-pyrrolidin-1-ium-1-ylethyl)benzamide Formula: C21H35N2O+ MolecularWeight: 331.5154

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=C1)C(=O)NCC[NH+]2CCCC2)C(C)(C)C

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1)C(=O)NCC[NH+]2CCCC2)C(C)(C)C

InChI

InChI=1S/C21H34N2O/c1-20(2,3)17-13-16(14-18(15-17)21(4,5)6)19(24)22-9-12-23-10-7-8-11-23/h13-15H,7-12H2,1-6H3,(H,22,24)/p+1