[(1R)-2-[(2-chloranyl-4-nitro-phenyl)amino]-2-oxidanylidene-1-phenyl-ethyl]-(3-methylbutyl)azanium

Systemtic Name: [(1R)-2-[(2-chloranyl-4-nitro-phenyl)amino]-2-oxidanylidene-1-phenyl-ethyl]-(3-methylbutyl)azanium Openeye Name: [(1R)-2-(2-chloro-4-nitro-anilino)-2-oxo-1-phenyl-ethyl]-isopentyl-ammonium CAS Name: [(1R)-2-(2-chloro-4-nitroanilino)-2-oxo-1-phenylethyl]-(3-methylbutyl)ammonium IUPAC Name: [(1R)-2-(2-chloro-4-nitroanilino)-2-oxo-1-phenylethyl]-(3-methylbutyl)azanium Traditional Name: [(1R)-2-(2-chloro-4-nitro-anilino)-2-keto-1-phenyl-ethyl]-isoamyl-ammonium Formula: C19H23ClN3O3+ MolecularWeight: 376.85722

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC[NH2+]C(C1=CC=CC=C1)C(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])Cl

Isomeric SMILES

CC(C)CC[NH2+][C@H](C1=CC=CC=C1)C(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])Cl

InChI

InChI=1S/C19H22ClN3O3/c1-13(2)10-11-21-18(14-6-4-3-5-7-14)19(24)22-17-9-8-15(23(25)26)12-16(17)20/h3-9,12-13,18,21H,10-11H2,1-2H3,(H,22,24)/p+1/t18-/m1/s1