N-[(2S)-butan-2-yl]-2-(1,4-diazepan-4-ium-1-yl)ethanamide

Systemtic Name: N-[(2S)-butan-2-yl]-2-(1,4-diazepan-4-ium-1-yl)ethanamide Openeye Name: 2-(1,4-diazepan-4-ium-1-yl)-N-[(1S)-1-methylpropyl]acetamide CAS Name: N-[(2S)-butan-2-yl]-2-(1,4-diazepan-4-ium-1-yl)acetamide IUPAC Name: N-[(2S)-butan-2-yl]-2-(1,4-diazepan-4-ium-1-yl)acetamide Traditional Name: 2-(1,4-diazepan-4-ium-1-yl)-N-[(1S)-1-methylpropyl]acetamide Formula: C11H24N3O+ MolecularWeight: 214.32776

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC(=O)CN1CCC[NH2+]CC1

Isomeric SMILES

CC[C@H](C)NC(=O)CN1CCC[NH2+]CC1

InChI

InChI=1S/C11H23N3O/c1-3-10(2)13-11(15)9-14-7-4-5-12-6-8-14/h10,12H,3-9H2,1-2H3,(H,13,15)/p+1/t10-/m0/s1