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

Systemtic Name: 3-(benzimidazol-1-yl)propyl-[(6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]azanium Openeye Name: 3-(benzimidazol-1-yl)propyl-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]ammonium CAS Name: 3-(1-benzimidazolyl)propyl-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]ammonium IUPAC Name: 3-(benzimidazol-1-yl)propyl-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]azanium Traditional Name: 3-(benzimidazol-1-yl)propyl-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]ammonium Formula: C20H23ClN3O2+ MolecularWeight: 372.86852

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C(=CC(=C2)C[NH2+]CCCN3C=NC4=CC=CC=C43)Cl)OC1

Isomeric SMILES

C1COC2=C(C(=CC(=C2)C[NH2+]CCCN3C=NC4=CC=CC=C43)Cl)OC1

InChI

InChI=1S/C20H22ClN3O2/c21-16-11-15(12-19-20(16)26-10-4-9-25-19)13-22-7-3-8-24-14-23-17-5-1-2-6-18(17)24/h1-2,5-6,11-12,14,22H,3-4,7-10,13H2/p+1