N-tert-butyl-2-[4-[(E)-2-(4-chlorophenyl)ethenyl]sulfonyl-1,4-diazepan-1-ium-1-yl]ethanamide

Systemtic Name: N-tert-butyl-2-[4-[(E)-2-(4-chlorophenyl)ethenyl]sulfonyl-1,4-diazepan-1-ium-1-yl]ethanamide Openeye Name: N-tert-butyl-2-[4-[(E)-2-(4-chlorophenyl)vinyl]sulfonyl-1,4-diazepan-1-ium-1-yl]acetamide CAS Name: N-tert-butyl-2-[4-[(E)-2-(4-chlorophenyl)ethenyl]sulfonyl-1,4-diazepan-1-ium-1-yl]acetamide IUPAC Name: N-tert-butyl-2-[4-[(E)-2-(4-chlorophenyl)ethenyl]sulfonyl-1,4-diazepan-1-ium-1-yl]acetamide Traditional Name: N-tert-butyl-2-[4-[(E)-2-(4-chlorophenyl)vinyl]sulfonyl-1,4-diazepan-1-ium-1-yl]acetamide Formula: C19H29ClN3O3S+ MolecularWeight: 414.96986

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)C[NH+]1CCCN(CC1)S(=O)(=O)C=CC2=CC=C(C=C2)Cl

Isomeric SMILES

CC(C)(C)NC(=O)C[NH+]1CCCN(CC1)S(=O)(=O)/C=C/C2=CC=C(C=C2)Cl

InChI

InChI=1S/C19H28ClN3O3S/c1-19(2,3)21-18(24)15-22-10-4-11-23(13-12-22)27(25,26)14-9-16-5-7-17(20)8-6-16/h5-9,14H,4,10-13,15H2,1-3H3,(H,21,24)/p+1/b14-9+