(4-chlorophenyl)methyl-[(1S)-1-(4-methyl-3-nitro-phenyl)ethyl]azanium

Systemtic Name: (4-chlorophenyl)methyl-[(1S)-1-(4-methyl-3-nitro-phenyl)ethyl]azanium Openeye Name: (4-chlorophenyl)methyl-[(1S)-1-(4-methyl-3-nitro-phenyl)ethyl]ammonium CAS Name: (4-chlorophenyl)methyl-[(1S)-1-(4-methyl-3-nitrophenyl)ethyl]ammonium IUPAC Name: (4-chlorophenyl)methyl-[(1S)-1-(4-methyl-3-nitrophenyl)ethyl]azanium Traditional Name: (4-chlorobenzyl)-[(1S)-1-(4-methyl-3-nitro-phenyl)ethyl]ammonium Formula: C16H18ClN2O2+ MolecularWeight: 305.77932

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(C)[NH2+]CC2=CC=C(C=C2)Cl)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)[C@H](C)[NH2+]CC2=CC=C(C=C2)Cl)[N+](=O)[O-]

InChI

InChI=1S/C16H17ClN2O2/c1-11-3-6-14(9-16(11)19(20)21)12(2)18-10-13-4-7-15(17)8-5-13/h3-9,12,18H,10H2,1-2H3/p+1/t12-/m0/s1