(2S)-2-(1,4-diazepan-4-ium-1-yl)-1-pyrrolidin-1-yl-propan-1-one

Systemtic Name: (2S)-2-(1,4-diazepan-4-ium-1-yl)-1-pyrrolidin-1-yl-propan-1-one Openeye Name: (2S)-2-(1,4-diazepan-4-ium-1-yl)-1-pyrrolidin-1-yl-propan-1-one CAS Name: (2S)-2-(1,4-diazepan-4-ium-1-yl)-1-(1-pyrrolidinyl)-1-propanone IUPAC Name: (2S)-2-(1,4-diazepan-4-ium-1-yl)-1-pyrrolidin-1-ylpropan-1-one Traditional Name: (2S)-2-(1,4-diazepan-4-ium-1-yl)-1-pyrrolidino-propan-1-one Formula: C12H24N3O+ MolecularWeight: 226.33846

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCCC1)N2CCC[NH2+]CC2

Isomeric SMILES

C[C@@H](C(=O)N1CCCC1)N2CCC[NH2+]CC2

InChI

InChI=1S/C12H23N3O/c1-11(12(16)15-7-2-3-8-15)14-9-4-5-13-6-10-14/h11,13H,2-10H2,1H3/p+1/t11-/m0/s1