N-[4-(azepan-1-ium-1-ylmethyl)-1,3-thiazol-2-yl]-6-oxidanylidene-1-(2-phenoxyethyl)pyridazine-3-carboxamide

Systemtic Name: N-[4-(azepan-1-ium-1-ylmethyl)-1,3-thiazol-2-yl]-6-oxidanylidene-1-(2-phenoxyethyl)pyridazine-3-carboxamide Openeye Name: N-[4-(azepan-1-ium-1-ylmethyl)thiazol-2-yl]-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide CAS Name: N-[4-(1-azepan-1-iumylmethyl)-2-thiazolyl]-6-oxo-1-(2-phenoxyethyl)-3-pyridazinecarboxamide IUPAC Name: N-[4-(azepan-1-ium-1-ylmethyl)-1,3-thiazol-2-yl]-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide Traditional Name: N-[4-(azepan-1-ium-1-ylmethyl)thiazol-2-yl]-6-keto-1-(2-phenoxyethyl)pyridazine-3-carboxamide Formula: C23H28N5O3S+ MolecularWeight: 454.56512

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC[NH+](CC1)CC2=CSC(=N2)NC(=O)C3=NN(C(=O)C=C3)CCOC4=CC=CC=C4

Isomeric SMILES

C1CCC[NH+](CC1)CC2=CSC(=N2)NC(=O)C3=NN(C(=O)C=C3)CCOC4=CC=CC=C4

InChI

InChI=1S/C23H27N5O3S/c29-21-11-10-20(26-28(21)14-15-31-19-8-4-3-5-9-19)22(30)25-23-24-18(17-32-23)16-27-12-6-1-2-7-13-27/h3-5,8-11,17H,1-2,6-7,12-16H2,(H,24,25,30)/p+1