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

Systemtic Name: 1-[(2S)-butan-2-yl]-1,4-diazepan-4-ium Openeye Name: 1-[(1S)-1-methylpropyl]-1,4-diazepan-4-ium CAS Name: 1-[(2S)-butan-2-yl]-1,4-diazepan-4-ium IUPAC Name: 1-[(2S)-butan-2-yl]-1,4-diazepan-4-ium Traditional Name: 1-[(1S)-1-methylpropyl]-1,4-diazepan-4-ium Formula: C9H21N2+ MolecularWeight: 157.27644

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)N1CCC[NH2+]CC1

Isomeric SMILES

CC[C@H](C)N1CCC[NH2+]CC1

InChI

InChI=1S/C9H20N2/c1-3-9(2)11-7-4-5-10-6-8-11/h9-10H,3-8H2,1-2H3/p+1/t9-/m0/s1