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

Systemtic Name: 4-[(2,4-dimethyl-1H-1,5-benzodiazepin-5-ium-8-yl)sulfonyl]morpholine Openeye Name: 4-[(2,4-dimethyl-1H-1,5-benzodiazepin-5-ium-8-yl)sulfonyl]morpholine CAS Name: 4-[(2,4-dimethyl-1H-1,5-benzodiazepin-5-ium-8-yl)sulfonyl]morpholine IUPAC Name: 4-[(2,4-dimethyl-1H-1,5-benzodiazepin-5-ium-8-yl)sulfonyl]morpholine Traditional Name: 4-[(2,4-dimethyl-1H-1,5-benzodiazepin-5-ium-8-yl)sulfonyl]morpholine Formula: C15H20N3O3S+ MolecularWeight: 322.4026

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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

Isomeric SMILES

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

InChI

InChI=1S/C15H19N3O3S/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/p+1