N-[(2S)-heptan-2-yl]-4-oxidanylidene-4-(4-pyridin-1-ium-2-ylpiperazin-1-yl)butanamide

Systemtic Name: N-[(2S)-heptan-2-yl]-4-oxidanylidene-4-(4-pyridin-1-ium-2-ylpiperazin-1-yl)butanamide Openeye Name: N-[(1S)-1-methylhexyl]-4-oxo-4-(4-pyridin-1-ium-2-ylpiperazin-1-yl)butanamide CAS Name: N-[(2S)-heptan-2-yl]-4-oxo-4-[4-(2-pyridin-1-iumyl)-1-piperazinyl]butanamide IUPAC Name: N-[(2S)-heptan-2-yl]-4-oxo-4-(4-pyridin-1-ium-2-ylpiperazin-1-yl)butanamide Traditional Name: 4-keto-N-[(1S)-1-methylhexyl]-4-(4-pyridin-1-ium-2-ylpiperazino)butyramide Formula: C20H33N4O2+ MolecularWeight: 361.50162

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H32N4O2/c1-3-4-5-8-17(2)22-19(25)10-11-20(26)24-15-13-23(14-16-24)18-9-6-7-12-21-18/h6-7,9,12,17H,3-5,8,10-11,13-16H2,1-2H3,(H,22,25)/p+1/t17-/m0/s1