[1-[1-[2-(1H-benzimidazol-2-ylmethylamino)-2-oxidanylidene-ethyl]-6-oxidanylidene-pyridazin-4-yl]piperidin-4-yl]methylazanium

Systemtic Name: [1-[1-[2-(1H-benzimidazol-2-ylmethylamino)-2-oxidanylidene-ethyl]-6-oxidanylidene-pyridazin-4-yl]piperidin-4-yl]methylazanium Openeye Name: [1-[1-[2-(1H-benzimidazol-2-ylmethylamino)-2-oxo-ethyl]-6-oxo-pyridazin-4-yl]-4-piperidyl]methylammonium CAS Name: [1-[1-[2-(1H-benzimidazol-2-ylmethylamino)-2-oxoethyl]-6-oxo-4-pyridazinyl]-4-piperidinyl]methylammonium IUPAC Name: [1-[1-[2-(1H-benzimidazol-2-ylmethylamino)-2-oxoethyl]-6-oxopyridazin-4-yl]piperidin-4-yl]methylazanium Traditional Name: [1-[1-[2-(1H-benzimidazol-2-ylmethylamino)-2-keto-ethyl]-6-keto-pyridazin-4-yl]-4-piperidyl]methylammonium Formula: C20H26N7O2+ MolecularWeight: 396.46614

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C[NH3+])C2=CC(=O)N(N=C2)CC(=O)NCC3=NC4=CC=CC=C4N3

Isomeric SMILES

C1CN(CCC1C[NH3+])C2=CC(=O)N(N=C2)CC(=O)NCC3=NC4=CC=CC=C4N3

InChI

InChI=1S/C20H25N7O2/c21-10-14-5-7-26(8-6-14)15-9-20(29)27(23-11-15)13-19(28)22-12-18-24-16-3-1-2-4-17(16)25-18/h1-4,9,11,14H,5-8,10,12-13,21H2,(H,22,28)(H,24,25)/p+1