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

Systemtic Name: N-[(2R)-4-methyl-1-oxidanylidene-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)pentan-2-yl]cyclohexanecarboxamide Openeye Name: N-[(1R)-3-methyl-1-(4-pyridin-1-ium-2-ylpiperazine-1-carbonyl)butyl]cyclohexanecarboxamide CAS Name: N-[(2R)-4-methyl-1-oxo-1-[4-(2-pyridin-1-iumyl)-1-piperazinyl]pentan-2-yl]cyclohexanecarboxamide IUPAC Name: N-[(2R)-4-methyl-1-oxo-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)pentan-2-yl]cyclohexanecarboxamide Traditional Name: N-[(1R)-3-methyl-1-(4-pyridin-1-ium-2-ylpiperazine-1-carbonyl)butyl]cyclohexanecarboxamide Formula: C22H35N4O2+ MolecularWeight: 387.5389

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H34N4O2/c1-17(2)16-19(24-21(27)18-8-4-3-5-9-18)22(28)26-14-12-25(13-15-26)20-10-6-7-11-23-20/h6-7,10-11,17-19H,3-5,8-9,12-16H2,1-2H3,(H,24,27)/p+1/t19-/m1/s1