1-[4-[4-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]piperazin-4-ium-1-yl]sulfonylphenyl]pyrrolidin-2-one

Systemtic Name: 1-[4-[4-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]piperazin-4-ium-1-yl]sulfonylphenyl]pyrrolidin-2-one Openeye Name: 1-[4-[4-[2-(azepan-1-yl)-2-oxo-ethyl]piperazin-4-ium-1-yl]sulfonylphenyl]pyrrolidin-2-one CAS Name: 1-[4-[[4-[2-(1-azepanyl)-2-oxoethyl]-1-piperazin-4-iumyl]sulfonyl]phenyl]-2-pyrrolidinone IUPAC Name: 1-[4-[4-[2-(azepan-1-yl)-2-oxoethyl]piperazin-4-ium-1-yl]sulfonylphenyl]pyrrolidin-2-one Traditional Name: 1-[4-[4-[2-(azepan-1-yl)-2-keto-ethyl]piperazin-4-ium-1-yl]sulfonylphenyl]-2-pyrrolidone Formula: C22H33N4O4S+ MolecularWeight: 449.58682

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)N4CCCC4=O

Isomeric SMILES

C1CCCN(CC1)C(=O)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)N4CCCC4=O

InChI

InChI=1S/C22H32N4O4S/c27-21-6-5-13-26(21)19-7-9-20(10-8-19)31(29,30)25-16-14-23(15-17-25)18-22(28)24-11-3-1-2-4-12-24/h7-10H,1-6,11-18H2/p+1