2-(azepan-1-ium-1-yl)-N-[[(2S)-butan-2-yl]carbamoyl]ethanamide

Systemtic Name: 2-(azepan-1-ium-1-yl)-N-[[(2S)-butan-2-yl]carbamoyl]ethanamide Openeye Name: 2-(azepan-1-ium-1-yl)-N-[[(1S)-1-methylpropyl]carbamoyl]acetamide CAS Name: 2-(1-azepan-1-iumyl)-N-[[[(2S)-butan-2-yl]amino]-oxomethyl]acetamide IUPAC Name: 2-(azepan-1-ium-1-yl)-N-[[(2S)-butan-2-yl]carbamoyl]acetamide Traditional Name: 2-(azepan-1-ium-1-yl)-N-[[(1S)-1-methylpropyl]carbamoyl]acetamide Formula: C13H26N3O2+ MolecularWeight: 256.36444

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC(=O)NC(=O)C[NH+]1CCCCCC1

Isomeric SMILES

CC[C@H](C)NC(=O)NC(=O)C[NH+]1CCCCCC1

InChI

InChI=1S/C13H25N3O2/c1-3-11(2)14-13(18)15-12(17)10-16-8-6-4-5-7-9-16/h11H,3-10H2,1-2H3,(H2,14,15,17,18)/p+1/t11-/m0/s1