N-[(3S)-1-(2,3-dihydro-1H-inden-2-yl)piperidin-1-ium-3-yl]-N,1-dimethyl-6-oxidanylidene-4,5-dihydropyridazine-3-carboxamide

Systemtic Name: N-[(3S)-1-(2,3-dihydro-1H-inden-2-yl)piperidin-1-ium-3-yl]-N,1-dimethyl-6-oxidanylidene-4,5-dihydropyridazine-3-carboxamide Openeye Name: N-[(3S)-1-indan-2-ylpiperidin-1-ium-3-yl]-N,1-dimethyl-6-oxo-4,5-dihydropyridazine-3-carboxamide CAS Name: N-[(3S)-1-(2,3-dihydro-1H-inden-2-yl)-3-piperidin-1-iumyl]-N,1-dimethyl-6-oxo-4,5-dihydropyridazine-3-carboxamide IUPAC Name: N-[(3S)-1-(2,3-dihydro-1H-inden-2-yl)piperidin-1-ium-3-yl]-N,1-dimethyl-6-oxo-4,5-dihydropyridazine-3-carboxamide Traditional Name: N-[(3S)-1-indan-2-ylpiperidin-1-ium-3-yl]-6-keto-N,1-dimethyl-4,5-dihydropyridazine-3-carboxamide Formula: C21H29N4O2+ MolecularWeight: 369.48056

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)CCC(=N1)C(=O)N(C)C2CCC[NH+](C2)C3CC4=CC=CC=C4C3

Isomeric SMILES

CN1C(=O)CCC(=N1)C(=O)N(C)[C@H]2CCC[NH+](C2)C3CC4=CC=CC=C4C3

InChI

InChI=1S/C21H28N4O2/c1-23(21(27)19-9-10-20(26)24(2)22-19)17-8-5-11-25(14-17)18-12-15-6-3-4-7-16(15)13-18/h3-4,6-7,17-18H,5,8-14H2,1-2H3/p+1/t17-/m0/s1