N-[2-(azepan-1-ium-1-yl)ethyl]-4-bromanyl-benzamide

Systemtic Name: N-[2-(azepan-1-ium-1-yl)ethyl]-4-bromanyl-benzamide Openeye Name: N-[2-(azepan-1-ium-1-yl)ethyl]-4-bromo-benzamide CAS Name: N-[2-(1-azepan-1-iumyl)ethyl]-4-bromobenzamide IUPAC Name: N-[2-(azepan-1-ium-1-yl)ethyl]-4-bromobenzamide Traditional Name: N-[2-(azepan-1-ium-1-yl)ethyl]-4-bromo-benzamide Formula: C15H22BrN2O+ MolecularWeight: 326.25198

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC[NH+](CC1)CCNC(=O)C2=CC=C(C=C2)Br

Isomeric SMILES

C1CCC[NH+](CC1)CCNC(=O)C2=CC=C(C=C2)Br

InChI

InChI=1S/C15H21BrN2O/c16-14-7-5-13(6-8-14)15(19)17-9-12-18-10-3-1-2-4-11-18/h5-8H,1-4,9-12H2,(H,17,19)/p+1