(3-ethyl-1,2-oxazol-5-yl)methyl-[[4-(5-pyrrolidin-1-ylpyridazin-3-yl)phenyl]methyl]azanium

Systemtic Name: (3-ethyl-1,2-oxazol-5-yl)methyl-[[4-(5-pyrrolidin-1-ylpyridazin-3-yl)phenyl]methyl]azanium Openeye Name: (3-ethylisoxazol-5-yl)methyl-[[4-(5-pyrrolidin-1-ylpyridazin-3-yl)phenyl]methyl]ammonium CAS Name: (3-ethyl-5-isoxazolyl)methyl-[[4-[5-(1-pyrrolidinyl)-3-pyridazinyl]phenyl]methyl]ammonium IUPAC Name: (3-ethyl-1,2-oxazol-5-yl)methyl-[[4-(5-pyrrolidin-1-ylpyridazin-3-yl)phenyl]methyl]azanium Traditional Name: (3-ethylisoxazol-5-yl)methyl-[4-(5-pyrrolidinopyridazin-3-yl)benzyl]ammonium Formula: C21H26N5O+ MolecularWeight: 364.46404

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NOC(=C1)C[NH2+]CC2=CC=C(C=C2)C3=NN=CC(=C3)N4CCCC4

Isomeric SMILES

CCC1=NOC(=C1)C[NH2+]CC2=CC=C(C=C2)C3=NN=CC(=C3)N4CCCC4

InChI

InChI=1S/C21H25N5O/c1-2-18-11-20(27-25-18)15-22-13-16-5-7-17(8-6-16)21-12-19(14-23-24-21)26-9-3-4-10-26/h5-8,11-12,14,22H,2-4,9-10,13,15H2,1H3/p+1