4-[(2,4-dimethyl-1H-1,5-benzodiazepin-5-ium-8-yl)sulfonyl]morpholine chloride

Systemtic Name: 4-[(2,4-dimethyl-1H-1,5-benzodiazepin-5-ium-8-yl)sulfonyl]morpholine chloride Openeye Name: 4-[(2,4-dimethyl-1H-1,5-benzodiazepin-5-ium-8-yl)sulfonyl]morpholine chloride CAS Name: 4-[(2,4-dimethyl-1H-1,5-benzodiazepin-5-ium-8-yl)sulfonyl]morpholine chloride IUPAC Name: 4-[(2,4-dimethyl-1H-1,5-benzodiazepin-5-ium-8-yl)sulfonyl]morpholine chloride Traditional Name: 4-[(2,4-dimethyl-1H-1,5-benzodiazepin-5-ium-8-yl)sulfonyl]morpholine chloride Formula: C15H20ClN3O3S MolecularWeight: 357.8556

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=[NH+]C2=C(N1)C=C(C=C2)S(=O)(=O)N3CCOCC3)C.[Cl-]

Isomeric SMILES

CC1=CC(=[NH+]C2=C(N1)C=C(C=C2)S(=O)(=O)N3CCOCC3)C.[Cl-]

InChI

InChI=1S/C15H19N3O3S.ClH/c1-11-9-12(2)17-15-10-13(3-4-14(15)16-11)22(19,20)18-5-7-21-8-6-18;/h3-4,9-10,17H,5-8H2,1-2H3;1H