[4-[(3S)-2-oxidanylideneazepan-3-yl]oxyphenyl]methylazanium

Systemtic Name: [4-[(3S)-2-oxidanylideneazepan-3-yl]oxyphenyl]methylazanium Openeye Name: [4-[(3S)-2-oxoazepan-3-yl]oxyphenyl]methylammonium CAS Name: [4-[[(3S)-2-oxo-3-azepanyl]oxy]phenyl]methylammonium IUPAC Name: [4-[(3S)-2-oxoazepan-3-yl]oxyphenyl]methylazanium Traditional Name: [4-[(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=C(C=C2)C[NH3+]

Isomeric SMILES

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

InChI

InChI=1S/C13H18N2O2/c14-9-10-4-6-11(7-5-10)17-12-3-1-2-8-15-13(12)16/h4-7,12H,1-3,8-9,14H2,(H,15,16)/p+1/t12-/m0/s1