methyl (2R)-2-[4-(4-methyl-1,4-diazepan-4-ium-1-yl)-6-oxidanylidene-pyridazin-1-yl]hexanoate

Systemtic Name: methyl (2R)-2-[4-(4-methyl-1,4-diazepan-4-ium-1-yl)-6-oxidanylidene-pyridazin-1-yl]hexanoate Openeye Name: methyl (2R)-2-[4-(4-methyl-1,4-diazepan-4-ium-1-yl)-6-oxo-pyridazin-1-yl]hexanoate CAS Name: (2R)-2-[4-(4-methyl-1,4-diazepan-4-ium-1-yl)-6-oxo-1-pyridazinyl]hexanoic acid methyl ester IUPAC Name: methyl (2R)-2-[4-(4-methyl-1,4-diazepan-4-ium-1-yl)-6-oxopyridazin-1-yl]hexanoate Traditional Name: (2R)-2-[6-keto-4-(4-methyl-1,4-diazepan-4-ium-1-yl)pyridazin-1-yl]hexanoic acid methyl ester Formula: C17H29N4O3+ MolecularWeight: 337.43716

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(=O)OC)N1C(=O)C=C(C=N1)N2CCC[NH+](CC2)C

Isomeric SMILES

CCCC[C@H](C(=O)OC)N1C(=O)C=C(C=N1)N2CCC[NH+](CC2)C

InChI

InChI=1S/C17H28N4O3/c1-4-5-7-15(17(23)24-3)21-16(22)12-14(13-18-21)20-9-6-8-19(2)10-11-20/h12-13,15H,4-11H2,1-3H3/p+1/t15-/m1/s1