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

Systemtic Name: 2-[4-[(2S)-1-(azepan-1-yl)-1-oxidanylidene-propan-2-yl]oxyphenyl]ethylazanium Openeye Name: 2-[4-[(1S)-2-(azepan-1-yl)-1-methyl-2-oxo-ethoxy]phenyl]ethylammonium CAS Name: 2-[4-[(2S)-1-(1-azepanyl)-1-oxopropan-2-yl]oxyphenyl]ethylammonium IUPAC Name: 2-[4-[(2S)-1-(azepan-1-yl)-1-oxopropan-2-yl]oxyphenyl]ethylazanium Traditional Name: 2-[4-[(1S)-2-(azepan-1-yl)-2-keto-1-methyl-ethoxy]phenyl]ethylammonium Formula: C17H27N2O2+ MolecularWeight: 291.40848

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H26N2O2/c1-14(17(20)19-12-4-2-3-5-13-19)21-16-8-6-15(7-9-16)10-11-18/h6-9,14H,2-5,10-13,18H2,1H3/p+1/t14-/m0/s1