[4-cyano-2-cyclohexyl-1-methyl-2-(piperidin-4-ylcarbamoyl)piperazin-1-ium-1-yl]methylcarbamic acid

Systemtic Name: [4-cyano-2-cyclohexyl-1-methyl-2-(piperidin-4-ylcarbamoyl)piperazin-1-ium-1-yl]methylcarbamic acid Openeye Name: [4-cyano-2-cyclohexyl-1-methyl-2-(4-piperidylcarbamoyl)piperazin-1-ium-1-yl]methylcarbamic acid CAS Name: [4-cyano-2-cyclohexyl-1-methyl-2-[oxo-(4-piperidinylamino)methyl]-1-piperazin-1-iumyl]methylcarbamic acid IUPAC Name: [4-cyano-2-cyclohexyl-1-methyl-2-(piperidin-4-ylcarbamoyl)piperazin-1-ium-1-yl]methylcarbamic acid Traditional Name: [4-cyano-2-cyclohexyl-1-methyl-2-(4-piperidylcarbamoyl)piperazin-1-ium-1-yl]methylcarbamic acid Formula: C20H35N6O3+ MolecularWeight: 407.5303

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCN(CC1(C2CCCCC2)C(=O)NC3CCNCC3)C#N)CNC(=O)O

Isomeric SMILES

C[N+]1(CCN(CC1(C2CCCCC2)C(=O)NC3CCNCC3)C#N)CNC(=O)O

InChI

InChI=1S/C20H34N6O3/c1-26(15-23-19(28)29)12-11-25(14-21)13-20(26,16-5-3-2-4-6-16)18(27)24-17-7-9-22-10-8-17/h16-17,22-23H,2-13,15H2,1H3,(H-,24,27,28,29)/p+1