N-[(1S)-1-[2-[cyclohexyl(methyl)amino]-4-methyl-pyrimidin-5-yl]ethyl]-2-piperidin-1-ium-1-yl-ethanamide

Systemtic Name: N-[(1S)-1-[2-[cyclohexyl(methyl)amino]-4-methyl-pyrimidin-5-yl]ethyl]-2-piperidin-1-ium-1-yl-ethanamide Openeye Name: N-[(1S)-1-[2-[cyclohexyl(methyl)amino]-4-methyl-pyrimidin-5-yl]ethyl]-2-piperidin-1-ium-1-yl-acetamide CAS Name: N-[(1S)-1-[2-[cyclohexyl(methyl)amino]-4-methyl-5-pyrimidinyl]ethyl]-2-(1-piperidin-1-iumyl)acetamide IUPAC Name: N-[(1S)-1-[2-[cyclohexyl(methyl)amino]-4-methylpyrimidin-5-yl]ethyl]-2-piperidin-1-ium-1-ylacetamide Traditional Name: N-[(1S)-1-[2-[cyclohexyl(methyl)amino]-4-methyl-pyrimidin-5-yl]ethyl]-2-piperidin-1-ium-1-yl-acetamide Formula: C21H36N5O+ MolecularWeight: 374.54344

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NC=C1C(C)NC(=O)C[NH+]2CCCCC2)N(C)C3CCCCC3

Isomeric SMILES

CC1=NC(=NC=C1[C@H](C)NC(=O)C[NH+]2CCCCC2)N(C)C3CCCCC3

InChI

InChI=1S/C21H35N5O/c1-16(23-20(27)15-26-12-8-5-9-13-26)19-14-22-21(24-17(19)2)25(3)18-10-6-4-7-11-18/h14,16,18H,4-13,15H2,1-3H3,(H,23,27)/p+1/t16-/m0/s1