N-[3-(azepan-1-ium-1-yl)propyl]-6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxamide

Systemtic Name: N-[3-(azepan-1-ium-1-yl)propyl]-6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxamide Openeye Name: N-[3-(azepan-1-ium-1-yl)propyl]-6-chloro-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxamide CAS Name: N-[3-(1-azepan-1-iumyl)propyl]-6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-carboxamide IUPAC Name: N-[3-(azepan-1-ium-1-yl)propyl]-6-chloro-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxamide Traditional Name: N-[3-(azepan-1-ium-1-yl)propyl]-6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-carboxamide Formula: C19H28ClN2O3+ MolecularWeight: 367.89022

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC[NH+](CC1)CCCNC(=O)C2=CC3=C(C(=C2)Cl)OCCCO3

Isomeric SMILES

C1CCC[NH+](CC1)CCCNC(=O)C2=CC3=C(C(=C2)Cl)OCCCO3

InChI

InChI=1S/C19H27ClN2O3/c20-16-13-15(14-17-18(16)25-12-6-11-24-17)19(23)21-7-5-10-22-8-3-1-2-4-9-22/h13-14H,1-12H2,(H,21,23)/p+1