6-oxidanylidene-1-propyl-N-[(2S)-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)butyl]pyridazine-3-carboxamide

Systemtic Name: 6-oxidanylidene-1-propyl-N-[(2S)-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)butyl]pyridazine-3-carboxamide Openeye Name: 6-oxo-1-propyl-N-[(2S)-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)butyl]pyridazine-3-carboxamide CAS Name: 6-oxo-1-propyl-N-[(2S)-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)butyl]-3-pyridazinecarboxamide IUPAC Name: 6-oxo-1-propyl-N-[(2S)-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)butyl]pyridazine-3-carboxamide Traditional Name: 6-keto-1-propyl-N-[(2S)-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)butyl]pyridazine-3-carboxamide Formula: C21H29N4O2+ MolecularWeight: 369.48056

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C=CC(=N1)C(=O)NCC(CC)[NH+]2CCC3=CC=CC=C3C2

Isomeric SMILES

CCCN1C(=O)C=CC(=N1)C(=O)NC[C@H](CC)[NH+]2CCC3=CC=CC=C3C2

InChI

InChI=1S/C21H28N4O2/c1-3-12-25-20(26)10-9-19(23-25)21(27)22-14-18(4-2)24-13-11-16-7-5-6-8-17(16)15-24/h5-10,18H,3-4,11-15H2,1-2H3,(H,22,27)/p+1/t18-/m0/s1