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

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

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

Isomeric SMILES

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

InChI

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