N-[(2S)-2-(azepan-1-ium-1-yl)-2-thiophen-2-yl-ethyl]-1-(4-methoxyphenyl)-4-oxidanylidene-pyridazine-3-carboxamide

Systemtic Name: N-[(2S)-2-(azepan-1-ium-1-yl)-2-thiophen-2-yl-ethyl]-1-(4-methoxyphenyl)-4-oxidanylidene-pyridazine-3-carboxamide Openeye Name: N-[(2S)-2-(azepan-1-ium-1-yl)-2-(2-thienyl)ethyl]-1-(4-methoxyphenyl)-4-oxo-pyridazine-3-carboxamide CAS Name: N-[(2S)-2-(1-azepan-1-iumyl)-2-thiophen-2-ylethyl]-1-(4-methoxyphenyl)-4-oxo-3-pyridazinecarboxamide IUPAC Name: N-[(2S)-2-(azepan-1-ium-1-yl)-2-thiophen-2-ylethyl]-1-(4-methoxyphenyl)-4-oxopyridazine-3-carboxamide Traditional Name: N-[(2S)-2-(azepan-1-ium-1-yl)-2-(2-thienyl)ethyl]-4-keto-1-(4-methoxyphenyl)pyridazine-3-carboxamide Formula: C24H29N4O3S+ MolecularWeight: 453.57706

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2C=CC(=O)C(=N2)C(=O)NCC(C3=CC=CS3)[NH+]4CCCCCC4

Isomeric SMILES

COC1=CC=C(C=C1)N2C=CC(=O)C(=N2)C(=O)NC[C@@H](C3=CC=CS3)[NH+]4CCCCCC4

InChI

InChI=1S/C24H28N4O3S/c1-31-19-10-8-18(9-11-19)28-15-12-21(29)23(26-28)24(30)25-17-20(22-7-6-16-32-22)27-13-4-2-3-5-14-27/h6-12,15-16,20H,2-5,13-14,17H2,1H3,(H,25,30)/p+1/t20-/m0/s1