N-[2-(3-tert-butyl-3,4-dihydro-2H-1,3-benzoxazin-3-ium-6-yl)ethyl]-4-chloranyl-benzamide

Systemtic Name: N-[2-(3-tert-butyl-3,4-dihydro-2H-1,3-benzoxazin-3-ium-6-yl)ethyl]-4-chloranyl-benzamide Openeye Name: N-[2-(3-tert-butyl-3,4-dihydro-2H-1,3-benzoxazin-3-ium-6-yl)ethyl]-4-chloro-benzamide CAS Name: N-[2-(3-tert-butyl-3,4-dihydro-2H-1,3-benzoxazin-3-ium-6-yl)ethyl]-4-chlorobenzamide IUPAC Name: N-[2-(3-tert-butyl-3,4-dihydro-2H-1,3-benzoxazin-3-ium-6-yl)ethyl]-4-chlorobenzamide Traditional Name: N-[2-(3-tert-butyl-3,4-dihydro-2H-1,3-benzoxazin-3-ium-6-yl)ethyl]-4-chloro-benzamide Formula: C21H26ClN2O2+ MolecularWeight: 373.89634

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)[NH+]1CC2=C(C=CC(=C2)CCNC(=O)C3=CC=C(C=C3)Cl)OC1

Isomeric SMILES

CC(C)(C)[NH+]1CC2=C(C=CC(=C2)CCNC(=O)C3=CC=C(C=C3)Cl)OC1

InChI

InChI=1S/C21H25ClN2O2/c1-21(2,3)24-13-17-12-15(4-9-19(17)26-14-24)10-11-23-20(25)16-5-7-18(22)8-6-16/h4-9,12H,10-11,13-14H2,1-3H3,(H,23,25)/p+1