2,7,7-trimethyl-5-oxidanylidene-N-pyridin-1-ium-2-yl-4-pyridin-4-yl-1,4,4a,6-tetrahydroquinoline-3-carboxamide

Systemtic Name: 2,7,7-trimethyl-5-oxidanylidene-N-pyridin-1-ium-2-yl-4-pyridin-4-yl-1,4,4a,6-tetrahydroquinoline-3-carboxamide Openeye Name: 2,7,7-trimethyl-5-oxo-N-pyridin-1-ium-2-yl-4-(4-pyridyl)-1,4,4a,6-tetrahydroquinoline-3-carboxamide CAS Name: 2,7,7-trimethyl-5-oxo-N-(2-pyridin-1-iumyl)-4-pyridin-4-yl-1,4,4a,6-tetrahydroquinoline-3-carboxamide IUPAC Name: 2,7,7-trimethyl-5-oxo-N-pyridin-1-ium-2-yl-4-pyridin-4-yl-1,4,4a,6-tetrahydroquinoline-3-carboxamide Traditional Name: 5-keto-2,7,7-trimethyl-N-pyridin-1-ium-2-yl-4-(4-pyridyl)-1,4,4a,6-tetrahydroquinoline-3-carboxamide Formula: C23H25N4O2+ MolecularWeight: 389.4702

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C2C(=O)CC(C=C2N1)(C)C)C3=CC=NC=C3)C(=O)NC4=CC=CC=[NH+]4

Isomeric SMILES

CC1=C(C(C2C(=O)CC(C=C2N1)(C)C)C3=CC=NC=C3)C(=O)NC4=CC=CC=[NH+]4

InChI

InChI=1S/C23H24N4O2/c1-14-19(22(29)27-18-6-4-5-9-25-18)20(15-7-10-24-11-8-15)21-16(26-14)12-23(2,3)13-17(21)28/h4-12,20-21,26H,13H2,1-3H3,(H,25,27,29)/p+1