(4-aminocarbonylphenyl)methyl-[(2-chloranyl-5-nitro-phenyl)methyl]-methyl-azanium

Systemtic Name: (4-aminocarbonylphenyl)methyl-[(2-chloranyl-5-nitro-phenyl)methyl]-methyl-azanium Openeye Name: (4-carbamoylphenyl)methyl-[(2-chloro-5-nitro-phenyl)methyl]-methyl-ammonium CAS Name: (4-carbamoylphenyl)methyl-[(2-chloro-5-nitrophenyl)methyl]-methylammonium IUPAC Name: (4-carbamoylphenyl)methyl-[(2-chloro-5-nitrophenyl)methyl]-methylazanium Traditional Name: (4-carbamoylbenzyl)-(2-chloro-5-nitro-benzyl)-methyl-ammonium Formula: C16H17ClN3O3+ MolecularWeight: 334.77748

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H16ClN3O3/c1-19(9-11-2-4-12(5-3-11)16(18)21)10-13-8-14(20(22)23)6-7-15(13)17/h2-8H,9-10H2,1H3,(H2,18,21)/p+1