N-[(3S)-1-(cyclohexylmethyl)piperidin-1-ium-3-yl]-2,6-dimethyl-pyrimidine-4-carboxamide

Systemtic Name: N-[(3S)-1-(cyclohexylmethyl)piperidin-1-ium-3-yl]-2,6-dimethyl-pyrimidine-4-carboxamide Openeye Name: N-[(3S)-1-(cyclohexylmethyl)piperidin-1-ium-3-yl]-2,6-dimethyl-pyrimidine-4-carboxamide CAS Name: N-[(3S)-1-(cyclohexylmethyl)-3-piperidin-1-iumyl]-2,6-dimethyl-4-pyrimidinecarboxamide IUPAC Name: N-[(3S)-1-(cyclohexylmethyl)piperidin-1-ium-3-yl]-2,6-dimethylpyrimidine-4-carboxamide Traditional Name: N-[(3S)-1-(cyclohexylmethyl)piperidin-1-ium-3-yl]-2,6-dimethyl-pyrimidine-4-carboxamide Formula: C19H31N4O+ MolecularWeight: 331.47564

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NC(=C1)C(=O)NC2CCC[NH+](C2)CC3CCCCC3)C

Isomeric SMILES

CC1=NC(=NC(=C1)C(=O)N[C@H]2CCC[NH+](C2)CC3CCCCC3)C

InChI

InChI=1S/C19H30N4O/c1-14-11-18(21-15(2)20-14)19(24)22-17-9-6-10-23(13-17)12-16-7-4-3-5-8-16/h11,16-17H,3-10,12-13H2,1-2H3,(H,22,24)/p+1/t17-/m0/s1