[(4S)-4-[[3-(azaniumylmethyl)phenyl]carbonylamino]pentyl]-diethyl-azanium

Systemtic Name: [(4S)-4-[[3-(azaniumylmethyl)phenyl]carbonylamino]pentyl]-diethyl-azanium Openeye Name: [(4S)-4-[[3-(azaniumylmethyl)benzoyl]amino]pentyl]-diethyl-ammonium CAS Name: [(4S)-4-[[[3-(ammoniomethyl)phenyl]-oxomethyl]amino]pentyl]-diethylammonium IUPAC Name: [(4S)-4-[[3-(azaniumylmethyl)benzoyl]amino]pentyl]-diethylazanium Traditional Name: [(4S)-4-[[3-(ammoniomethyl)benzoyl]amino]pentyl]-diethyl-ammonium Formula: C17H31N3O+2 MolecularWeight: 293.44754

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCCC(C)NC(=O)C1=CC(=CC=C1)C[NH3+]

Isomeric SMILES

CC[NH+](CC)CCC[C@H](C)NC(=O)C1=CC(=CC=C1)C[NH3+]

InChI

InChI=1S/C17H29N3O/c1-4-20(5-2)11-7-8-14(3)19-17(21)16-10-6-9-15(12-16)13-18/h6,9-10,12,14H,4-5,7-8,11,13,18H2,1-3H3,(H,19,21)/p+2/t14-/m0/s1