(2S)-2-(azocan-1-ium-1-yl)-N-(1,3,5-trimethylpyrazol-4-yl)propanamide

Systemtic Name: (2S)-2-(azocan-1-ium-1-yl)-N-(1,3,5-trimethylpyrazol-4-yl)propanamide Openeye Name: (2S)-2-(azocan-1-ium-1-yl)-N-(1,3,5-trimethylpyrazol-4-yl)propanamide CAS Name: (2S)-2-(1-azocan-1-iumyl)-N-(1,3,5-trimethyl-4-pyrazolyl)propanamide IUPAC Name: (2S)-2-(azocan-1-ium-1-yl)-N-(1,3,5-trimethylpyrazol-4-yl)propanamide Traditional Name: (2S)-2-(azocan-1-ium-1-yl)-N-(1,3,5-trimethylpyrazol-4-yl)propionamide Formula: C16H29N4O+ MolecularWeight: 293.42766

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C)C)NC(=O)C(C)[NH+]2CCCCCCC2

Isomeric SMILES

CC1=C(C(=NN1C)C)NC(=O)[C@H](C)[NH+]2CCCCCCC2

InChI

InChI=1S/C16H28N4O/c1-12-15(13(2)19(4)18-12)17-16(21)14(3)20-10-8-6-5-7-9-11-20/h14H,5-11H2,1-4H3,(H,17,21)/p+1/t14-/m0/s1