2-[[(2R)-1-(azepan-1-yl)-1-oxidanylidene-propan-2-yl]amino]ethyl-di(propan-2-yl)azanium

Systemtic Name: 2-[[(2R)-1-(azepan-1-yl)-1-oxidanylidene-propan-2-yl]amino]ethyl-di(propan-2-yl)azanium Openeye Name: 2-[[(1R)-2-(azepan-1-yl)-1-methyl-2-oxo-ethyl]amino]ethyl-diisopropyl-ammonium CAS Name: 2-[[(2R)-1-(1-azepanyl)-1-oxopropan-2-yl]amino]ethyl-di(propan-2-yl)ammonium IUPAC Name: 2-[[(2R)-1-(azepan-1-yl)-1-oxopropan-2-yl]amino]ethyl-di(propan-2-yl)azanium Traditional Name: 2-[[(1R)-2-(azepan-1-yl)-2-keto-1-methyl-ethyl]amino]ethyl-diisopropyl-ammonium Formula: C17H36N3O+ MolecularWeight: 298.48724

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)[NH+](CCNC(C)C(=O)N1CCCCCC1)C(C)C

Isomeric SMILES

C[C@H](C(=O)N1CCCCCC1)NCC[NH+](C(C)C)C(C)C

InChI

InChI=1S/C17H35N3O/c1-14(2)20(15(3)4)13-10-18-16(5)17(21)19-11-8-6-7-9-12-19/h14-16,18H,6-13H2,1-5H3/p+1/t16-/m1/s1