N-[(4-chloranyl-1-methyl-pyrazol-3-yl)methyl]-6-(1H-pyrazol-2-ium-2-yl)-N-(2-pyrrolidin-1-ium-1-ylethyl)pyridine-3-carboxamide

Systemtic Name: N-[(4-chloranyl-1-methyl-pyrazol-3-yl)methyl]-6-(1H-pyrazol-2-ium-2-yl)-N-(2-pyrrolidin-1-ium-1-ylethyl)pyridine-3-carboxamide Openeye Name: N-[(4-chloro-1-methyl-pyrazol-3-yl)methyl]-6-(1H-pyrazol-2-ium-2-yl)-N-(2-pyrrolidin-1-ium-1-ylethyl)pyridine-3-carboxamide CAS Name: N-[(4-chloro-1-methyl-3-pyrazolyl)methyl]-6-(1H-pyrazol-2-ium-2-yl)-N-[2-(1-pyrrolidin-1-iumyl)ethyl]-3-pyridinecarboxamide IUPAC Name: N-[(4-chloro-1-methylpyrazol-3-yl)methyl]-6-(1H-pyrazol-2-ium-2-yl)-N-(2-pyrrolidin-1-ium-1-ylethyl)pyridine-3-carboxamide Traditional Name: N-[(4-chloro-1-methyl-pyrazol-3-yl)methyl]-6-(1H-pyrazol-2-ium-2-yl)-N-(2-pyrrolidin-1-ium-1-ylethyl)nicotinamide Formula: C20H26ClN7O+2 MolecularWeight: 415.91974

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C(=N1)CN(CC[NH+]2CCCC2)C(=O)C3=CN=C(C=C3)[N+]4=CC=CN4)Cl

Isomeric SMILES

CN1C=C(C(=N1)CN(CC[NH+]2CCCC2)C(=O)C3=CN=C(C=C3)[N+]4=CC=CN4)Cl

InChI

InChI=1S/C20H24ClN7O/c1-25-14-17(21)18(24-25)15-27(12-11-26-8-2-3-9-26)20(29)16-5-6-19(22-13-16)28-10-4-7-23-28/h4-7,10,13-14H,2-3,8-9,11-12,15H2,1H3/p+2