[(4S)-4-[(2-chloranyl-4-nitro-phenyl)amino]pentyl]-diethyl-azanium

Systemtic Name: [(4S)-4-[(2-chloranyl-4-nitro-phenyl)amino]pentyl]-diethyl-azanium Openeye Name: [(4S)-4-(2-chloro-4-nitro-anilino)pentyl]-diethyl-ammonium CAS Name: [(4S)-4-(2-chloro-4-nitroanilino)pentyl]-diethylammonium IUPAC Name: [(4S)-4-(2-chloro-4-nitroanilino)pentyl]-diethylazanium Traditional Name: [(4S)-4-(2-chloro-4-nitro-anilino)pentyl]-diethyl-ammonium Formula: C15H25ClN3O2+ MolecularWeight: 314.8309

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCCC(C)NC1=C(C=C(C=C1)[N+](=O)[O-])Cl

Isomeric SMILES

CC[NH+](CC)CCC[C@H](C)NC1=C(C=C(C=C1)[N+](=O)[O-])Cl

InChI

InChI=1S/C15H24ClN3O2/c1-4-18(5-2)10-6-7-12(3)17-15-9-8-13(19(20)21)11-14(15)16/h8-9,11-12,17H,4-7,10H2,1-3H3/p+1/t12-/m0/s1