ethyl 4-[(2,4-dichlorophenyl)methyl]-1,4-diazepan-4-ium-1-carboxylate

Systemtic Name: ethyl 4-[(2,4-dichlorophenyl)methyl]-1,4-diazepan-4-ium-1-carboxylate Openeye Name: ethyl 4-[(2,4-dichlorophenyl)methyl]-1,4-diazepan-4-ium-1-carboxylate CAS Name: 4-[(2,4-dichlorophenyl)methyl]-1,4-diazepan-4-ium-1-carboxylic acid ethyl ester IUPAC Name: ethyl 4-[(2,4-dichlorophenyl)methyl]-1,4-diazepan-4-ium-1-carboxylate Traditional Name: 4-(2,4-dichlorobenzyl)-1,4-diazepan-4-ium-1-carboxylic acid ethyl ester Formula: C15H21Cl2N2O2+ MolecularWeight: 332.24544

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCC[NH+](CC1)CC2=C(C=C(C=C2)Cl)Cl

Isomeric SMILES

CCOC(=O)N1CCC[NH+](CC1)CC2=C(C=C(C=C2)Cl)Cl

InChI

InChI=1S/C15H20Cl2N2O2/c1-2-21-15(20)19-7-3-6-18(8-9-19)11-12-4-5-13(16)10-14(12)17/h4-5,10H,2-3,6-9,11H2,1H3/p+1