[(2S)-2-(3-nitrophenyl)-2-[(phenylmethyl)-propan-2-yl-amino]ethyl]azanium

Systemtic Name: [(2S)-2-(3-nitrophenyl)-2-[(phenylmethyl)-propan-2-yl-amino]ethyl]azanium Openeye Name: [(2S)-2-[benzyl(isopropyl)amino]-2-(3-nitrophenyl)ethyl]ammonium CAS Name: [(2S)-2-(3-nitrophenyl)-2-[(phenylmethyl)-propan-2-ylamino]ethyl]ammonium IUPAC Name: [(2S)-2-[benzyl(propan-2-yl)amino]-2-(3-nitrophenyl)ethyl]azanium Traditional Name: [(2S)-2-[benzyl(isopropyl)amino]-2-(3-nitrophenyl)ethyl]ammonium Formula: C18H24N3O2+ MolecularWeight: 314.40206

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)N(CC1=CC=CC=C1)C(C[NH3+])C2=CC(=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CC(C)N(CC1=CC=CC=C1)[C@H](C[NH3+])C2=CC(=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C18H23N3O2/c1-14(2)20(13-15-7-4-3-5-8-15)18(12-19)16-9-6-10-17(11-16)21(22)23/h3-11,14,18H,12-13,19H2,1-2H3/p+1/t18-/m1/s1