[(3S,4S)-3,4-bis(azanyl)piperidin-1-yl]-phenyl-methanone

Systemtic Name: [(3S,4S)-3,4-bis(azanyl)piperidin-1-yl]-phenyl-methanone Openeye Name: [(3S,4S)-3,4-diamino-1-piperidyl]-phenyl-methanone CAS Name: [(3S,4S)-3,4-diamino-1-piperidinyl]-phenylmethanone IUPAC Name: [(3S,4S)-3,4-diaminopiperidin-1-yl]-phenylmethanone Traditional Name: [(3S,4S)-3,4-diaminopiperidino]-phenyl-methanone Formula: C12H17N3O MolecularWeight: 219.28288

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC(C1N)N)C(=O)C2=CC=CC=C2

Isomeric SMILES

C1CN(C[C@@H]([C@H]1N)N)C(=O)C2=CC=CC=C2

InChI

InChI=1S/C12H17N3O/c13-10-6-7-15(8-11(10)14)12(16)9-4-2-1-3-5-9/h1-5,10-11H,6-8,13-14H2/t10-,11-/m0/s1