1-butyl-6-oxidanylidene-N-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]pyridazine-3-carboxamide

Systemtic Name: 1-butyl-6-oxidanylidene-N-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]pyridazine-3-carboxamide Openeye Name: 1-butyl-6-oxo-N-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]pyridazine-3-carboxamide CAS Name: 1-butyl-6-oxo-N-[[4-(1-piperidin-1-iumylmethyl)phenyl]methyl]-3-pyridazinecarboxamide IUPAC Name: 1-butyl-6-oxo-N-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]pyridazine-3-carboxamide Traditional Name: 1-butyl-6-keto-N-[4-(piperidin-1-ium-1-ylmethyl)benzyl]pyridazine-3-carboxamide Formula: C22H31N4O2+ MolecularWeight: 383.50714

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C=CC(=N1)C(=O)NCC2=CC=C(C=C2)C[NH+]3CCCCC3

Isomeric SMILES

CCCCN1C(=O)C=CC(=N1)C(=O)NCC2=CC=C(C=C2)C[NH+]3CCCCC3

InChI

InChI=1S/C22H30N4O2/c1-2-3-15-26-21(27)12-11-20(24-26)22(28)23-16-18-7-9-19(10-8-18)17-25-13-5-4-6-14-25/h7-12H,2-6,13-17H2,1H3,(H,23,28)/p+1