2-(6-chloranyl-1,3-benzodioxol-5-yl)-5-methyl-4-[(4-phenyl-1,4-diazepan-1-ium-1-yl)methyl]-1,3-oxazole

Systemtic Name: 2-(6-chloranyl-1,3-benzodioxol-5-yl)-5-methyl-4-[(4-phenyl-1,4-diazepan-1-ium-1-yl)methyl]-1,3-oxazole Openeye Name: 2-(6-chloro-1,3-benzodioxol-5-yl)-5-methyl-4-[(4-phenyl-1,4-diazepan-1-ium-1-yl)methyl]oxazole CAS Name: 2-(6-chloro-1,3-benzodioxol-5-yl)-5-methyl-4-[(4-phenyl-1,4-diazepan-1-ium-1-yl)methyl]oxazole IUPAC Name: 2-(6-chloro-1,3-benzodioxol-5-yl)-5-methyl-4-[(4-phenyl-1,4-diazepan-1-ium-1-yl)methyl]-1,3-oxazole Traditional Name: 2-(6-chloro-1,3-benzodioxol-5-yl)-5-methyl-4-[(4-phenyl-1,4-diazepan-1-ium-1-yl)methyl]oxazole Formula: C23H25ClN3O3+ MolecularWeight: 426.9159

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C(O1)C2=CC3=C(C=C2Cl)OCO3)C[NH+]4CCCN(CC4)C5=CC=CC=C5

Isomeric SMILES

CC1=C(N=C(O1)C2=CC3=C(C=C2Cl)OCO3)C[NH+]4CCCN(CC4)C5=CC=CC=C5

InChI

InChI=1S/C23H24ClN3O3/c1-16-20(14-26-8-5-9-27(11-10-26)17-6-3-2-4-7-17)25-23(30-16)18-12-21-22(13-19(18)24)29-15-28-21/h2-4,6-7,12-13H,5,8-11,14-15H2,1H3/p+1