4-azanyl-2-(2-azanyl-2-oxidanylidene-ethoxy)-5-chloranyl-N-(2-diethylaminoethyl)benzamide ethanoate hydrate

Systemtic Name: 4-azanyl-2-(2-azanyl-2-oxidanylidene-ethoxy)-5-chloranyl-N-(2-diethylaminoethyl)benzamide ethanoate hydrate Openeye Name: 4-amino-2-(2-amino-2-oxo-ethoxy)-5-chloro-N-(2-diethylaminoethyl)benzamide acetate hydrate CAS Name: 4-amino-2-(2-amino-2-oxoethoxy)-5-chloro-N-(2-diethylaminoethyl)benzamide acetate hydrate IUPAC Name: 4-amino-2-(2-amino-2-oxoethoxy)-5-chloro-N-(2-diethylaminoethyl)benzamide acetate hydrate Traditional Name: 4-amino-2-(2-amino-2-keto-ethoxy)-5-chloro-N-(2-diethylaminoethyl)benzamide acetate hydrate Formula: C17H28ClN4O6- MolecularWeight: 419.88042

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCNC(=O)C1=CC(=C(C=C1OCC(=O)N)N)Cl.CC(=O)[O-].O

Isomeric SMILES

CCN(CC)CCNC(=O)C1=CC(=C(C=C1OCC(=O)N)N)Cl.CC(=O)[O-].O

InChI

InChI=1S/C15H23ClN4O3.C2H4O2.H2O/c1-3-20(4-2)6-5-19-15(22)10-7-11(16)12(17)8-13(10)23-9-14(18)21;1-2(3)4;/h7-8H,3-6,9,17H2,1-2H3,(H2,18,21)(H,19,22);1H3,(H,3,4);1H2/p-1