(2S)-2-(azepan-1-ium-1-yl)-N-(propan-2-ylcarbamoyl)propanamide

Systemtic Name: (2S)-2-(azepan-1-ium-1-yl)-N-(propan-2-ylcarbamoyl)propanamide Openeye Name: (2S)-2-(azepan-1-ium-1-yl)-N-(isopropylcarbamoyl)propanamide CAS Name: (2S)-2-(1-azepan-1-iumyl)-N-[oxo-(propan-2-ylamino)methyl]propanamide IUPAC Name: (2S)-2-(azepan-1-ium-1-yl)-N-(propan-2-ylcarbamoyl)propanamide Traditional Name: (2S)-2-(azepan-1-ium-1-yl)-N-(isopropylcarbamoyl)propionamide Formula: C13H26N3O2+ MolecularWeight: 256.36444

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H25N3O2/c1-10(2)14-13(18)15-12(17)11(3)16-8-6-4-5-7-9-16/h10-11H,4-9H2,1-3H3,(H2,14,15,17,18)/p+1/t11-/m0/s1