benzamide; cyclopropane; (4-methoxy-3-nitro-phenyl)methyl-dimethyl-azanium; chloride

Systemtic Name: benzamide; cyclopropane; (4-methoxy-3-nitro-phenyl)methyl-dimethyl-azanium; chloride Openeye Name: benzamide; cyclopropane; (4-methoxy-3-nitro-phenyl)methyl-dimethyl-ammonium; chloride CAS Name: benzamide; cyclopropane; (4-methoxy-3-nitrophenyl)methyl-dimethylammonium; chloride IUPAC Name: benzamide; cyclopropane; (4-methoxy-3-nitrophenyl)methyl-dimethylazanium; chloride Traditional Name: benzamide; cyclopropane; (4-methoxy-3-nitro-benzyl)-dimethyl-ammonium; chloride Formula: C20H28ClN3O4 MolecularWeight: 409.90702

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CC1=CC(=C(C=C1)OC)[N+](=O)[O-].C1CC1.C1=CC=C(C=C1)C(=O)N.[Cl-]

Isomeric SMILES

C[NH+](C)CC1=CC(=C(C=C1)OC)[N+](=O)[O-].C1CC1.C1=CC=C(C=C1)C(=O)N.[Cl-]

InChI

InChI=1S/C10H14N2O3.C7H7NO.C3H6.ClH/c1-11(2)7-8-4-5-10(15-3)9(6-8)12(13)14;8-7(9)6-4-2-1-3-5-6;1-2-3-1;/h4-6H,7H2,1-3H3;1-5H,(H2,8,9);1-3H2;1H