3-(4-tert-butylphenyl)-N-[[2-(morpholin-4-ium-4-ylmethyl)phenyl]methyl]propanamide

Systemtic Name: 3-(4-tert-butylphenyl)-N-[[2-(morpholin-4-ium-4-ylmethyl)phenyl]methyl]propanamide Openeye Name: 3-(4-tert-butylphenyl)-N-[[2-(morpholin-4-ium-4-ylmethyl)phenyl]methyl]propanamide CAS Name: 3-(4-tert-butylphenyl)-N-[[2-(4-morpholin-4-iumylmethyl)phenyl]methyl]propanamide IUPAC Name: 3-(4-tert-butylphenyl)-N-[[2-(morpholin-4-ium-4-ylmethyl)phenyl]methyl]propanamide Traditional Name: 3-(4-tert-butylphenyl)-N-[2-(morpholin-4-ium-4-ylmethyl)benzyl]propionamide Formula: C25H35N2O2+ MolecularWeight: 395.5576

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)CCC(=O)NCC2=CC=CC=C2C[NH+]3CCOCC3

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)CCC(=O)NCC2=CC=CC=C2C[NH+]3CCOCC3

InChI

InChI=1S/C25H34N2O2/c1-25(2,3)23-11-8-20(9-12-23)10-13-24(28)26-18-21-6-4-5-7-22(21)19-27-14-16-29-17-15-27/h4-9,11-12H,10,13-19H2,1-3H3,(H,26,28)/p+1