N-[(2R)-3-methyl-1-oxidanylidene-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)butan-2-yl]cyclohexanecarboxamide

Systemtic Name: N-[(2R)-3-methyl-1-oxidanylidene-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)butan-2-yl]cyclohexanecarboxamide Openeye Name: N-[(1R)-2-methyl-1-(4-pyridin-1-ium-2-ylpiperazine-1-carbonyl)propyl]cyclohexanecarboxamide CAS Name: N-[(2R)-3-methyl-1-oxo-1-[4-(2-pyridin-1-iumyl)-1-piperazinyl]butan-2-yl]cyclohexanecarboxamide IUPAC Name: N-[(2R)-3-methyl-1-oxo-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)butan-2-yl]cyclohexanecarboxamide Traditional Name: N-[(1R)-2-methyl-1-(4-pyridin-1-ium-2-ylpiperazine-1-carbonyl)propyl]cyclohexanecarboxamide Formula: C21H33N4O2+ MolecularWeight: 373.51232

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)N1CCN(CC1)C2=CC=CC=[NH+]2)NC(=O)C3CCCCC3

Isomeric SMILES

CC(C)[C@H](C(=O)N1CCN(CC1)C2=CC=CC=[NH+]2)NC(=O)C3CCCCC3

InChI

InChI=1S/C21H32N4O2/c1-16(2)19(23-20(26)17-8-4-3-5-9-17)21(27)25-14-12-24(13-15-25)18-10-6-7-11-22-18/h6-7,10-11,16-17,19H,3-5,8-9,12-15H2,1-2H3,(H,23,26)/p+1/t19-/m1/s1