N4-[(3S)-1-cycloheptylpiperidin-1-ium-3-yl]-N1,N1-dimethyl-piperidine-1,4-dicarboxamide

Systemtic Name: N4-[(3S)-1-cycloheptylpiperidin-1-ium-3-yl]-N1,N1-dimethyl-piperidine-1,4-dicarboxamide Openeye Name: N4-[(3S)-1-cycloheptylpiperidin-1-ium-3-yl]-N1,N1-dimethyl-piperidine-1,4-dicarboxamide CAS Name: N4-[(3S)-1-cycloheptyl-3-piperidin-1-iumyl]-N1,N1-dimethylpiperidine-1,4-dicarboxamide IUPAC Name: 4-N-[(3S)-1-cycloheptylpiperidin-1-ium-3-yl]-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide Traditional Name: N'-[(3S)-1-cycloheptylpiperidin-1-ium-3-yl]-N,N-dimethyl-piperidine-1,4-dicarboxamide Formula: C21H39N4O2+ MolecularWeight: 379.55996

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(=O)N1CCC(CC1)C(=O)NC2CCC[NH+](C2)C3CCCCCC3

Isomeric SMILES

CN(C)C(=O)N1CCC(CC1)C(=O)N[C@H]2CCC[NH+](C2)C3CCCCCC3

InChI

InChI=1S/C21H38N4O2/c1-23(2)21(27)24-14-11-17(12-15-24)20(26)22-18-8-7-13-25(16-18)19-9-5-3-4-6-10-19/h17-19H,3-16H2,1-2H3,(H,22,26)/p+1/t18-/m0/s1