N,N-diethyl-2-[4-[(3-oxidanylidene-4H-1,4-benzoxazin-6-yl)sulfonyl]-1,4-diazepan-1-ium-1-yl]ethanamide

Systemtic Name: N,N-diethyl-2-[4-[(3-oxidanylidene-4H-1,4-benzoxazin-6-yl)sulfonyl]-1,4-diazepan-1-ium-1-yl]ethanamide Openeye Name: N,N-diethyl-2-[4-[(3-oxo-4H-1,4-benzoxazin-6-yl)sulfonyl]-1,4-diazepan-1-ium-1-yl]acetamide CAS Name: N,N-diethyl-2-[4-[(3-oxo-4H-1,4-benzoxazin-6-yl)sulfonyl]-1,4-diazepan-1-ium-1-yl]acetamide IUPAC Name: N,N-diethyl-2-[4-[(3-oxo-4H-1,4-benzoxazin-6-yl)sulfonyl]-1,4-diazepan-1-ium-1-yl]acetamide Traditional Name: N,N-diethyl-2-[4-[(3-keto-4H-1,4-benzoxazin-6-yl)sulfonyl]-1,4-diazepan-1-ium-1-yl]acetamide Formula: C19H29N4O5S+ MolecularWeight: 425.52236

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)C[NH+]1CCCN(CC1)S(=O)(=O)C2=CC3=C(C=C2)OCC(=O)N3

Isomeric SMILES

CCN(CC)C(=O)C[NH+]1CCCN(CC1)S(=O)(=O)C2=CC3=C(C=C2)OCC(=O)N3

InChI

InChI=1S/C19H28N4O5S/c1-3-22(4-2)19(25)13-21-8-5-9-23(11-10-21)29(26,27)15-6-7-17-16(12-15)20-18(24)14-28-17/h6-7,12H,3-5,8-11,13-14H2,1-2H3,(H,20,24)/p+1