N-[2-[3-[bis(azanyl)methylidene]-6-oxidanylidene-cyclohexa-1,4-dien-1-yl]oxyethyl]-4-(1-ethanimidoylpiperidin-4-yl)oxy-benzamide dihydrochloride

Systemtic Name: N-[2-[3-[bis(azanyl)methylidene]-6-oxidanylidene-cyclohexa-1,4-dien-1-yl]oxyethyl]-4-(1-ethanimidoylpiperidin-4-yl)oxy-benzamide dihydrochloride Openeye Name: N-[2-[3-(diaminomethylene)-6-oxo-cyclohexa-1,4-dien-1-yl]oxyethyl]-4-[(1-ethanimidoyl-4-piperidyl)oxy]benzamide dihydrochloride CAS Name: N-[2-[[3-(diaminomethylidene)-6-oxo-1-cyclohexa-1,4-dienyl]oxy]ethyl]-4-[[1-(1-iminoethyl)-4-piperidinyl]oxy]benzamide dihydrochloride IUPAC Name: N-[2-[3-(diaminomethylidene)-6-oxocyclohexa-1,4-dien-1-yl]oxyethyl]-4-(1-ethanimidoylpiperidin-4-yl)oxybenzamide dihydrochloride Traditional Name: 4-[(1-acetimidoyl-4-piperidyl)oxy]-N-[2-[3-(diaminomethylene)-6-keto-cyclohexa-1,4-dien-1-yl]oxyethyl]benzamide dihydrochloride Formula: C23H31Cl2N5O4 MolecularWeight: 512.42934

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Descriptors Computed from Structure

Canonical SMILES:

CC(=N)N1CCC(CC1)OC2=CC=C(C=C2)C(=O)NCCOC3=CC(=C(N)N)C=CC3=O.Cl.Cl

Isomeric SMILES

CC(=N)N1CCC(CC1)OC2=CC=C(C=C2)C(=O)NCCOC3=CC(=C(N)N)C=CC3=O.Cl.Cl

InChI

InChI=1S/C23H29N5O4.2ClH/c1-15(24)28-11-8-19(9-12-28)32-18-5-2-16(3-6-18)23(30)27-10-13-31-21-14-17(22(25)26)4-7-20(21)29;;/h2-7,14,19,24H,8-13,25-26H2,1H3,(H,27,30);2*1H