[(2S)-4-(phenylmethyl)-1,4-oxazepan-4-ium-2-yl]methylazanium

Systemtic Name: [(2S)-4-(phenylmethyl)-1,4-oxazepan-4-ium-2-yl]methylazanium Openeye Name: [(2S)-4-benzyl-1,4-oxazepan-4-ium-2-yl]methylammonium CAS Name: [(2S)-4-(phenylmethyl)-1,4-oxazepan-4-ium-2-yl]methylammonium IUPAC Name: [(2S)-4-benzyl-1,4-oxazepan-4-ium-2-yl]methylazanium Traditional Name: [(2S)-4-benzyl-1,4-oxazepan-4-ium-2-yl]methylammonium Formula: C13H22N2O+2 MolecularWeight: 222.32658

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC(OC1)C[NH3+])CC2=CC=CC=C2

Isomeric SMILES

C1C[NH+](C[C@@H](OC1)C[NH3+])CC2=CC=CC=C2

InChI

InChI=1S/C13H20N2O/c14-9-13-11-15(7-4-8-16-13)10-12-5-2-1-3-6-12/h1-3,5-6,13H,4,7-11,14H2/p+2/t13-/m0/s1