[1-[1-(1,3-benzothiazol-2-ylmethyl)-6-oxidanylidene-pyridazin-4-yl]piperidin-4-yl]methylazanium

Systemtic Name: [1-[1-(1,3-benzothiazol-2-ylmethyl)-6-oxidanylidene-pyridazin-4-yl]piperidin-4-yl]methylazanium Openeye Name: [1-[1-(1,3-benzothiazol-2-ylmethyl)-6-oxo-pyridazin-4-yl]-4-piperidyl]methylammonium CAS Name: [1-[1-(1,3-benzothiazol-2-ylmethyl)-6-oxo-4-pyridazinyl]-4-piperidinyl]methylammonium IUPAC Name: [1-[1-(1,3-benzothiazol-2-ylmethyl)-6-oxopyridazin-4-yl]piperidin-4-yl]methylazanium Traditional Name: [1-[1-(1,3-benzothiazol-2-ylmethyl)-6-keto-pyridazin-4-yl]-4-piperidyl]methylammonium Formula: C18H22N5OS+ MolecularWeight: 356.46518

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C[NH3+])C2=CC(=O)N(N=C2)CC3=NC4=CC=CC=C4S3

Isomeric SMILES

C1CN(CCC1C[NH3+])C2=CC(=O)N(N=C2)CC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C18H21N5OS/c19-10-13-5-7-22(8-6-13)14-9-18(24)23(20-11-14)12-17-21-15-3-1-2-4-16(15)25-17/h1-4,9,11,13H,5-8,10,12,19H2/p+1