[4-[(2S)-1-(azepan-1-yl)-1-oxidanylidene-propan-2-yl]oxyphenyl]methylazanium

Systemtic Name: [4-[(2S)-1-(azepan-1-yl)-1-oxidanylidene-propan-2-yl]oxyphenyl]methylazanium Openeye Name: [4-[(1S)-2-(azepan-1-yl)-1-methyl-2-oxo-ethoxy]phenyl]methylammonium CAS Name: [4-[(2S)-1-(1-azepanyl)-1-oxopropan-2-yl]oxyphenyl]methylammonium IUPAC Name: [4-[(2S)-1-(azepan-1-yl)-1-oxopropan-2-yl]oxyphenyl]methylazanium Traditional Name: [4-[(1S)-2-(azepan-1-yl)-2-keto-1-methyl-ethoxy]benzyl]ammonium Formula: C16H25N2O2+ MolecularWeight: 277.3819

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCCCCC1)OC2=CC=C(C=C2)C[NH3+]

Isomeric SMILES

C[C@@H](C(=O)N1CCCCCC1)OC2=CC=C(C=C2)C[NH3+]

InChI

InChI=1S/C16H24N2O2/c1-13(16(19)18-10-4-2-3-5-11-18)20-15-8-6-14(12-17)7-9-15/h6-9,13H,2-5,10-12,17H2,1H3/p+1/t13-/m0/s1