[3-[(3S)-2-oxidanylideneazepan-3-yl]oxyphenyl]methylazanium

Systemtic Name: [3-[(3S)-2-oxidanylideneazepan-3-yl]oxyphenyl]methylazanium Openeye Name: [3-[(3S)-2-oxoazepan-3-yl]oxyphenyl]methylammonium CAS Name: [3-[[(3S)-2-oxo-3-azepanyl]oxy]phenyl]methylammonium IUPAC Name: [3-[(3S)-2-oxoazepan-3-yl]oxyphenyl]methylazanium Traditional Name: [3-[(3S)-2-ketoazepan-3-yl]oxybenzyl]ammonium Formula: C13H19N2O2+ MolecularWeight: 235.30216

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Descriptors Computed from Structure

Canonical SMILES:

C1CCNC(=O)C(C1)OC2=CC=CC(=C2)C[NH3+]

Isomeric SMILES

C1CCNC(=O)[C@H](C1)OC2=CC=CC(=C2)C[NH3+]

InChI

InChI=1S/C13H18N2O2/c14-9-10-4-3-5-11(8-10)17-12-6-1-2-7-15-13(12)16/h3-5,8,12H,1-2,6-7,9,14H2,(H,15,16)/p+1/t12-/m0/s1