N-methyl-N-(1-methylpiperidin-1-ium-4-yl)-1-(6-phenylpyridazin-3-yl)piperidine-4-carboxamide

Systemtic Name: N-methyl-N-(1-methylpiperidin-1-ium-4-yl)-1-(6-phenylpyridazin-3-yl)piperidine-4-carboxamide Openeye Name: N-methyl-N-(1-methylpiperidin-1-ium-4-yl)-1-(6-phenylpyridazin-3-yl)piperidine-4-carboxamide CAS Name: N-methyl-N-(1-methyl-4-piperidin-1-iumyl)-1-(6-phenyl-3-pyridazinyl)-4-piperidinecarboxamide IUPAC Name: N-methyl-N-(1-methylpiperidin-1-ium-4-yl)-1-(6-phenylpyridazin-3-yl)piperidine-4-carboxamide Traditional Name: N-methyl-N-(1-methylpiperidin-1-ium-4-yl)-1-(6-phenylpyridazin-3-yl)isonipecotamide Formula: C23H32N5O+ MolecularWeight: 394.53308

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCC(CC1)N(C)C(=O)C2CCN(CC2)C3=NN=C(C=C3)C4=CC=CC=C4

Isomeric SMILES

C[NH+]1CCC(CC1)N(C)C(=O)C2CCN(CC2)C3=NN=C(C=C3)C4=CC=CC=C4

InChI

InChI=1S/C23H31N5O/c1-26-14-12-20(13-15-26)27(2)23(29)19-10-16-28(17-11-19)22-9-8-21(24-25-22)18-6-4-3-5-7-18/h3-9,19-20H,10-17H2,1-2H3/p+1