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

Systemtic Name: N-[(2-chloranyl-4-propan-2-yl-phenyl)methyl]-1-(1-oxidanylpyridin-1-ium-4-yl)-N-[(1-oxidanylpyridin-1-ium-4-yl)methyl]methanamine Openeye Name: N-[(2-chloro-4-isopropyl-phenyl)methyl]-1-(1-hydroxypyridin-1-ium-4-yl)-N-[(1-hydroxypyridin-1-ium-4-yl)methyl]methanamine CAS Name: N-[(2-chloro-4-propan-2-ylphenyl)methyl]-1-(1-hydroxy-4-pyridin-1-iumyl)-N-[(1-hydroxy-4-pyridin-1-iumyl)methyl]methanamine IUPAC Name: N-[(2-chloro-4-propan-2-ylphenyl)methyl]-1-(1-hydroxypyridin-1-ium-4-yl)-N-[(1-hydroxypyridin-1-ium-4-yl)methyl]methanamine Traditional Name: (2-chloro-4-isopropyl-benzyl)-bis[(1-hydroxypyridin-1-ium-4-yl)methyl]amine Formula: C22H26ClN3O2+2 MolecularWeight: 399.91374

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC(=C(C=C1)CN(CC2=CC=[N+](C=C2)O)CC3=CC=[N+](C=C3)O)Cl

Isomeric SMILES

CC(C)C1=CC(=C(C=C1)CN(CC2=CC=[N+](C=C2)O)CC3=CC=[N+](C=C3)O)Cl

InChI

InChI=1S/C22H26ClN3O2/c1-17(2)20-3-4-21(22(23)13-20)16-24(14-18-5-9-25(27)10-6-18)15-19-7-11-26(28)12-8-19/h3-13,17,27-28H,14-16H2,1-2H3/q+2