N-cyclopropyl-2-[4-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]carbonylpiperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-cyclopropyl-2-[4-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]carbonylpiperazin-1-ium-1-yl]ethanamide Openeye Name: N-cyclopropyl-2-[4-[1-(4-fluorophenyl)sulfonylpiperidine-4-carbonyl]piperazin-1-ium-1-yl]acetamide CAS Name: N-cyclopropyl-2-[4-[[1-(4-fluorophenyl)sulfonyl-4-piperidinyl]-oxomethyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-cyclopropyl-2-[4-[1-(4-fluorophenyl)sulfonylpiperidine-4-carbonyl]piperazin-1-ium-1-yl]acetamide Traditional Name: N-cyclopropyl-2-[4-[1-(4-fluorophenyl)sulfonylisonipecotoyl]piperazin-1-ium-1-yl]acetamide Formula: C21H30FN4O4S+ MolecularWeight: 453.550703

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1NC(=O)C[NH+]2CCN(CC2)C(=O)C3CCN(CC3)S(=O)(=O)C4=CC=C(C=C4)F

Isomeric SMILES

C1CC1NC(=O)C[NH+]2CCN(CC2)C(=O)C3CCN(CC3)S(=O)(=O)C4=CC=C(C=C4)F

InChI

InChI=1S/C21H29FN4O4S/c22-17-1-5-19(6-2-17)31(29,30)26-9-7-16(8-10-26)21(28)25-13-11-24(12-14-25)15-20(27)23-18-3-4-18/h1-2,5-6,16,18H,3-4,7-15H2,(H,23,27)/p+1