1-[(6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]piperidin-1-ium-4-carboxamide

Systemtic Name: 1-[(6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]piperidin-1-ium-4-carboxamide Openeye Name: 1-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]piperidin-1-ium-4-carboxamide CAS Name: 1-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-4-piperidin-1-iumcarboxamide IUPAC Name: 1-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]piperidin-1-ium-4-carboxamide Traditional Name: 1-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]piperidin-1-ium-4-carboxamide Formula: C16H22ClN2O3+ MolecularWeight: 325.81048

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C(=CC(=C2)C[NH+]3CCC(CC3)C(=O)N)Cl)OC1

Isomeric SMILES

C1COC2=C(C(=CC(=C2)C[NH+]3CCC(CC3)C(=O)N)Cl)OC1

InChI

InChI=1S/C16H21ClN2O3/c17-13-8-11(9-14-15(13)22-7-1-6-21-14)10-19-4-2-12(3-5-19)16(18)20/h8-9,12H,1-7,10H2,(H2,18,20)/p+1