2-oxidanyl-4-oxidanylidene-1-propyl-N-pyridin-1-ium-2-yl-5,6,7,8-tetrahydroquinoline-3-carboxamide

Systemtic Name: 2-oxidanyl-4-oxidanylidene-1-propyl-N-pyridin-1-ium-2-yl-5,6,7,8-tetrahydroquinoline-3-carboxamide Openeye Name: 2-hydroxy-4-oxo-1-propyl-N-pyridin-1-ium-2-yl-5,6,7,8-tetrahydroquinoline-3-carboxamide CAS Name: 2-hydroxy-4-oxo-1-propyl-N-(2-pyridin-1-iumyl)-5,6,7,8-tetrahydroquinoline-3-carboxamide IUPAC Name: 2-hydroxy-4-oxo-1-propyl-N-pyridin-1-ium-2-yl-5,6,7,8-tetrahydroquinoline-3-carboxamide Traditional Name: 2-hydroxy-4-keto-1-propyl-N-pyridin-1-ium-2-yl-5,6,7,8-tetrahydroquinoline-3-carboxamide Formula: C18H22N3O3+ MolecularWeight: 328.38558

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(CCCC2)C(=O)C(=C1O)C(=O)NC3=CC=CC=[NH+]3

Isomeric SMILES

CCCN1C2=C(CCCC2)C(=O)C(=C1O)C(=O)NC3=CC=CC=[NH+]3

InChI

InChI=1S/C18H21N3O3/c1-2-11-21-13-8-4-3-7-12(13)16(22)15(18(21)24)17(23)20-14-9-5-6-10-19-14/h5-6,9-10,24H,2-4,7-8,11H2,1H3,(H,19,20,23)/p+1