[(2R)-2-(dimethylamino)-3-ethyl-pentyl]-[(3-nitrophenyl)methyl]azanium

Systemtic Name: [(2R)-2-(dimethylamino)-3-ethyl-pentyl]-[(3-nitrophenyl)methyl]azanium Openeye Name: [(2R)-2-(dimethylamino)-3-ethyl-pentyl]-[(3-nitrophenyl)methyl]ammonium CAS Name: [(2R)-2-(dimethylamino)-3-ethylpentyl]-[(3-nitrophenyl)methyl]ammonium IUPAC Name: [(2R)-2-(dimethylamino)-3-ethylpentyl]-[(3-nitrophenyl)methyl]azanium Traditional Name: [(2R)-2-(dimethylamino)-3-ethyl-pentyl]-(3-nitrobenzyl)ammonium Formula: C16H28N3O2+ MolecularWeight: 294.41242

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)C(C[NH2+]CC1=CC(=CC=C1)[N+](=O)[O-])N(C)C

Isomeric SMILES

CCC(CC)[C@H](C[NH2+]CC1=CC(=CC=C1)[N+](=O)[O-])N(C)C

InChI

InChI=1S/C16H27N3O2/c1-5-14(6-2)16(18(3)4)12-17-11-13-8-7-9-15(10-13)19(20)21/h7-10,14,16-17H,5-6,11-12H2,1-4H3/p+1/t16-/m0/s1