[(4S)-4-[[2-(azepan-1-yl)-2-oxidanylidene-ethyl]azaniumyl]pentyl]-diethyl-azanium

Systemtic Name: [(4S)-4-[[2-(azepan-1-yl)-2-oxidanylidene-ethyl]azaniumyl]pentyl]-diethyl-azanium Openeye Name: [(4S)-4-[[2-(azepan-1-yl)-2-oxo-ethyl]ammonio]pentyl]-diethyl-ammonium CAS Name: [(4S)-4-[[2-(1-azepanyl)-2-oxoethyl]ammonio]pentyl]-diethylammonium IUPAC Name: [(4S)-4-[[2-(azepan-1-yl)-2-oxoethyl]azaniumyl]pentyl]-diethylazanium Traditional Name: [(4S)-4-[[2-(azepan-1-yl)-2-keto-ethyl]ammonio]pentyl]-diethyl-ammonium Formula: C17H37N3O+2 MolecularWeight: 299.49518

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCCC(C)[NH2+]CC(=O)N1CCCCCC1

Isomeric SMILES

CC[NH+](CC)CCC[C@H](C)[NH2+]CC(=O)N1CCCCCC1

InChI

InChI=1S/C17H35N3O/c1-4-19(5-2)12-10-11-16(3)18-15-17(21)20-13-8-6-7-9-14-20/h16,18H,4-15H2,1-3H3/p+2/t16-/m0/s1