N-[6-chloranyl-2-(pyridin-4-ylmethylamino)pyridin-3-yl]-4-methyl-pyridin-1-ium-1-carboxamide

Systemtic Name: N-[6-chloranyl-2-(pyridin-4-ylmethylamino)pyridin-3-yl]-4-methyl-pyridin-1-ium-1-carboxamide Openeye Name: N-[6-chloro-2-(4-pyridylmethylamino)-3-pyridyl]-4-methyl-pyridin-1-ium-1-carboxamide CAS Name: N-[6-chloro-2-(pyridin-4-ylmethylamino)-3-pyridinyl]-4-methyl-1-pyridin-1-iumcarboxamide IUPAC Name: N-[6-chloro-2-(pyridin-4-ylmethylamino)pyridin-3-yl]-4-methylpyridin-1-ium-1-carboxamide Traditional Name: N-[6-chloro-2-(4-pyridylmethylamino)-3-pyridyl]-4-methyl-pyridin-1-ium-1-carboxamide Formula: C18H17ClN5O+ MolecularWeight: 354.81348

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=[N+](C=C1)C(=O)NC2=C(N=C(C=C2)Cl)NCC3=CC=NC=C3

Isomeric SMILES

CC1=CC=[N+](C=C1)C(=O)NC2=C(N=C(C=C2)Cl)NCC3=CC=NC=C3

InChI

InChI=1S/C18H16ClN5O/c1-13-6-10-24(11-7-13)18(25)22-15-2-3-16(19)23-17(15)21-12-14-4-8-20-9-5-14/h2-11H,12H2,1H3,(H-,21,22,23,25)/p+1