N4-[(3S)-1-[(2-fluorophenyl)methyl]piperidin-1-ium-3-yl]-N1,N1-dimethyl-piperidine-1,4-dicarboxamide

Systemtic Name: N4-[(3S)-1-[(2-fluorophenyl)methyl]piperidin-1-ium-3-yl]-N1,N1-dimethyl-piperidine-1,4-dicarboxamide Openeye Name: N4-[(3S)-1-[(2-fluorophenyl)methyl]piperidin-1-ium-3-yl]-N1,N1-dimethyl-piperidine-1,4-dicarboxamide CAS Name: N4-[(3S)-1-[(2-fluorophenyl)methyl]-3-piperidin-1-iumyl]-N1,N1-dimethylpiperidine-1,4-dicarboxamide IUPAC Name: 4-N-[(3S)-1-[(2-fluorophenyl)methyl]piperidin-1-ium-3-yl]-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide Traditional Name: N'-[(3S)-1-(2-fluorobenzyl)piperidin-1-ium-3-yl]-N,N-dimethyl-piperidine-1,4-dicarboxamide Formula: C21H32FN4O2+ MolecularWeight: 391.502783

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(=O)N1CCC(CC1)C(=O)NC2CCC[NH+](C2)CC3=CC=CC=C3F

Isomeric SMILES

CN(C)C(=O)N1CCC(CC1)C(=O)N[C@H]2CCC[NH+](C2)CC3=CC=CC=C3F

InChI

InChI=1S/C21H31FN4O2/c1-24(2)21(28)26-12-9-16(10-13-26)20(27)23-18-7-5-11-25(15-18)14-17-6-3-4-8-19(17)22/h3-4,6,8,16,18H,5,7,9-15H2,1-2H3,(H,23,27)/p+1/t18-/m0/s1