1-[4-[(3S)-3-(4-methylpiperazin-4-ium-1-yl)carbonylpiperidin-1-yl]sulfonylphenyl]pyrrolidin-2-one

Systemtic Name: 1-[4-[(3S)-3-(4-methylpiperazin-4-ium-1-yl)carbonylpiperidin-1-yl]sulfonylphenyl]pyrrolidin-2-one Openeye Name: 1-[4-[[(3S)-3-(4-methylpiperazin-4-ium-1-carbonyl)-1-piperidyl]sulfonyl]phenyl]pyrrolidin-2-one CAS Name: 1-[4-[[(3S)-3-[(4-methyl-1-piperazin-4-iumyl)-oxomethyl]-1-piperidinyl]sulfonyl]phenyl]-2-pyrrolidinone IUPAC Name: 1-[4-[(3S)-3-(4-methylpiperazin-4-ium-1-carbonyl)piperidin-1-yl]sulfonylphenyl]pyrrolidin-2-one Traditional Name: 1-[4-[(3S)-3-(4-methylpiperazin-4-ium-1-carbonyl)piperidino]sulfonylphenyl]-2-pyrrolidone Formula: C21H31N4O4S+ MolecularWeight: 435.56024

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C(=O)C2CCCN(C2)S(=O)(=O)C3=CC=C(C=C3)N4CCCC4=O

Isomeric SMILES

C[NH+]1CCN(CC1)C(=O)[C@H]2CCCN(C2)S(=O)(=O)C3=CC=C(C=C3)N4CCCC4=O

InChI

InChI=1S/C21H30N4O4S/c1-22-12-14-23(15-13-22)21(27)17-4-2-10-24(16-17)30(28,29)19-8-6-18(7-9-19)25-11-3-5-20(25)26/h6-9,17H,2-5,10-16H2,1H3/p+1/t17-/m0/s1