1-(2-chlorophenyl)-N-[(2S)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-6-methyl-4-oxidanylidene-pyridazine-3-carboxamide

Systemtic Name: 1-(2-chlorophenyl)-N-[(2S)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-6-methyl-4-oxidanylidene-pyridazine-3-carboxamide Openeye Name: 1-(2-chlorophenyl)-N-[(2S)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-6-methyl-4-oxo-pyridazine-3-carboxamide CAS Name: 1-(2-chlorophenyl)-N-[(2S)-2-(4-methoxyphenyl)-2-(1-pyrrolidin-1-iumyl)ethyl]-6-methyl-4-oxo-3-pyridazinecarboxamide IUPAC Name: 1-(2-chlorophenyl)-N-[(2S)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ium-1-ylethyl]-6-methyl-4-oxopyridazine-3-carboxamide Traditional Name: 1-(2-chlorophenyl)-4-keto-N-[(2S)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-6-methyl-pyridazine-3-carboxamide Formula: C25H28ClN4O3+ MolecularWeight: 467.96782

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)C(=NN1C2=CC=CC=C2Cl)C(=O)NCC(C3=CC=C(C=C3)OC)[NH+]4CCCC4

Isomeric SMILES

CC1=CC(=O)C(=NN1C2=CC=CC=C2Cl)C(=O)NC[C@H](C3=CC=C(C=C3)OC)[NH+]4CCCC4

InChI

InChI=1S/C25H27ClN4O3/c1-17-15-23(31)24(28-30(17)21-8-4-3-7-20(21)26)25(32)27-16-22(29-13-5-6-14-29)18-9-11-19(33-2)12-10-18/h3-4,7-12,15,22H,5-6,13-14,16H2,1-2H3,(H,27,32)/p+1/t22-/m1/s1