1H-benzimidazol-2-ylmethyl-[[2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrol-3-yl]methyl]azanium

Systemtic Name: 1H-benzimidazol-2-ylmethyl-[[2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrol-3-yl]methyl]azanium Openeye Name: 1H-benzimidazol-2-ylmethyl-[[2,5-dimethyl-1-(5-methylisoxazol-3-yl)pyrrol-3-yl]methyl]ammonium CAS Name: 1H-benzimidazol-2-ylmethyl-[[2,5-dimethyl-1-(5-methyl-3-isoxazolyl)-3-pyrrolyl]methyl]ammonium IUPAC Name: 1H-benzimidazol-2-ylmethyl-[[2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrol-3-yl]methyl]azanium Traditional Name: 1H-benzimidazol-2-ylmethyl-[[2,5-dimethyl-1-(5-methylisoxazol-3-yl)pyrrol-3-yl]methyl]ammonium Formula: C19H22N5O+ MolecularWeight: 336.41088

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=NOC(=C2)C)C)C[NH2+]CC3=NC4=CC=CC=C4N3

Isomeric SMILES

CC1=CC(=C(N1C2=NOC(=C2)C)C)C[NH2+]CC3=NC4=CC=CC=C4N3

InChI

InChI=1S/C19H21N5O/c1-12-8-15(14(3)24(12)19-9-13(2)25-23-19)10-20-11-18-21-16-6-4-5-7-17(16)22-18/h4-9,20H,10-11H2,1-3H3,(H,21,22)/p+1