N-(1-cyclopropylcarbonylpiperidin-4-yl)-4-[2-[(4-fluorophenyl)amino]-2-oxidanylidene-ethyl]piperazin-4-ium-1-carboxamide

Systemtic Name: N-(1-cyclopropylcarbonylpiperidin-4-yl)-4-[2-[(4-fluorophenyl)amino]-2-oxidanylidene-ethyl]piperazin-4-ium-1-carboxamide Openeye Name: N-[1-(cyclopropanecarbonyl)-4-piperidyl]-4-[2-(4-fluoroanilino)-2-oxo-ethyl]piperazin-4-ium-1-carboxamide CAS Name: N-[1-[cyclopropyl(oxo)methyl]-4-piperidinyl]-4-[2-(4-fluoroanilino)-2-oxoethyl]-1-piperazin-4-iumcarboxamide IUPAC Name: N-[1-(cyclopropanecarbonyl)piperidin-4-yl]-4-[2-(4-fluoroanilino)-2-oxoethyl]piperazin-4-ium-1-carboxamide Traditional Name: N-[1-(cyclopropanecarbonyl)-4-piperidyl]-4-[2-(4-fluoroanilino)-2-keto-ethyl]piperazin-4-ium-1-carboxamide Formula: C22H31FN5O3+ MolecularWeight: 432.511643

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C(=O)N2CCC(CC2)NC(=O)N3CC[NH+](CC3)CC(=O)NC4=CC=C(C=C4)F

Isomeric SMILES

C1CC1C(=O)N2CCC(CC2)NC(=O)N3CC[NH+](CC3)CC(=O)NC4=CC=C(C=C4)F

InChI

InChI=1S/C22H30FN5O3/c23-17-3-5-18(6-4-17)24-20(29)15-26-11-13-28(14-12-26)22(31)25-19-7-9-27(10-8-19)21(30)16-1-2-16/h3-6,16,19H,1-2,7-15H2,(H,24,29)(H,25,31)/p+1