(2S)-1-(1,4-diazepan-4-ium-1-yl)-2-methyl-pentan-1-one

Systemtic Name: (2S)-1-(1,4-diazepan-4-ium-1-yl)-2-methyl-pentan-1-one Openeye Name: (2S)-1-(1,4-diazepan-4-ium-1-yl)-2-methyl-pentan-1-one CAS Name: (2S)-1-(1,4-diazepan-4-ium-1-yl)-2-methyl-1-pentanone IUPAC Name: (2S)-1-(1,4-diazepan-4-ium-1-yl)-2-methylpentan-1-one Traditional Name: (2S)-1-(1,4-diazepan-4-ium-1-yl)-2-methyl-pentan-1-one Formula: C11H23N2O+ MolecularWeight: 199.31312

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C)C(=O)N1CCC[NH2+]CC1

Isomeric SMILES

CCC[C@H](C)C(=O)N1CCC[NH2+]CC1

InChI

InChI=1S/C11H22N2O/c1-3-5-10(2)11(14)13-8-4-6-12-7-9-13/h10,12H,3-9H2,1-2H3/p+1/t10-/m0/s1