N-[(2-chloranyl-4-propan-2-yl-phenyl)methyl]-1-(1-oxidanylpyridin-1-ium-4-yl)methanamine

Systemtic Name: N-[(2-chloranyl-4-propan-2-yl-phenyl)methyl]-1-(1-oxidanylpyridin-1-ium-4-yl)methanamine Openeye Name: N-[(2-chloro-4-isopropyl-phenyl)methyl]-1-(1-hydroxypyridin-1-ium-4-yl)methanamine CAS Name: N-[(2-chloro-4-propan-2-ylphenyl)methyl]-1-(1-hydroxy-4-pyridin-1-iumyl)methanamine IUPAC Name: N-[(2-chloro-4-propan-2-ylphenyl)methyl]-1-(1-hydroxypyridin-1-ium-4-yl)methanamine Traditional Name: (2-chloro-4-isopropyl-benzyl)-[(1-hydroxypyridin-1-ium-4-yl)methyl]amine Formula: C16H20ClN2O+ MolecularWeight: 291.7958

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC(=C(C=C1)CNCC2=CC=[N+](C=C2)O)Cl

Isomeric SMILES

CC(C)C1=CC(=C(C=C1)CNCC2=CC=[N+](C=C2)O)Cl

InChI

InChI=1S/C16H20ClN2O/c1-12(2)14-3-4-15(16(17)9-14)11-18-10-13-5-7-19(20)8-6-13/h3-9,12,18,20H,10-11H2,1-2H3/q+1