N-methyl-6-(pyridin-2-ylmethylamino)-N-(quinolin-2-ylmethyl)pyridin-1-ium-3-carboxamide

Systemtic Name: N-methyl-6-(pyridin-2-ylmethylamino)-N-(quinolin-2-ylmethyl)pyridin-1-ium-3-carboxamide Openeye Name: N-methyl-6-(2-pyridylmethylamino)-N-(2-quinolylmethyl)pyridin-1-ium-3-carboxamide CAS Name: N-methyl-6-(2-pyridinylmethylamino)-N-(2-quinolinylmethyl)-3-pyridin-1-iumcarboxamide IUPAC Name: N-methyl-6-(pyridin-2-ylmethylamino)-N-(quinolin-2-ylmethyl)pyridin-1-ium-3-carboxamide Traditional Name: N-methyl-6-(2-pyridylmethylamino)-N-(2-quinolylmethyl)pyridin-1-ium-3-carboxamide Formula: C23H22N5O+ MolecularWeight: 384.45368

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=NC2=CC=CC=C2C=C1)C(=O)C3=C[NH+]=C(C=C3)NCC4=CC=CC=N4

Isomeric SMILES

CN(CC1=NC2=CC=CC=C2C=C1)C(=O)C3=C[NH+]=C(C=C3)NCC4=CC=CC=N4

InChI

InChI=1S/C23H21N5O/c1-28(16-20-11-9-17-6-2-3-8-21(17)27-20)23(29)18-10-12-22(25-14-18)26-15-19-7-4-5-13-24-19/h2-14H,15-16H2,1H3,(H,25,26)/p+1