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

Systemtic Name: 3-[1-[(6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]piperidin-1-ium-4-yl]-1H-benzimidazol-2-one Openeye Name: 3-[1-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]piperidin-1-ium-4-yl]-1H-benzimidazol-2-one CAS Name: 3-[1-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-4-piperidin-1-iumyl]-1H-benzimidazol-2-one IUPAC Name: 3-[1-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]piperidin-1-ium-4-yl]-1H-benzimidazol-2-one Traditional Name: 3-[1-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]piperidin-1-ium-4-yl]-1H-benzimidazol-2-one Formula: C22H25ClN3O3+ MolecularWeight: 414.9052

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C(=CC(=C2)C[NH+]3CCC(CC3)N4C5=CC=CC=C5NC4=O)Cl)OC1

Isomeric SMILES

C1COC2=C(C(=CC(=C2)C[NH+]3CCC(CC3)N4C5=CC=CC=C5NC4=O)Cl)OC1

InChI

InChI=1S/C22H24ClN3O3/c23-17-12-15(13-20-21(17)29-11-3-10-28-20)14-25-8-6-16(7-9-25)26-19-5-2-1-4-18(19)24-22(26)27/h1-2,4-5,12-13,16H,3,6-11,14H2,(H,24,27)/p+1