(3-methoxy-2-oxidanyl-phenyl)methyl-(1-propan-2-ylpiperidin-1-ium-4-yl)azanium

Systemtic Name: (3-methoxy-2-oxidanyl-phenyl)methyl-(1-propan-2-ylpiperidin-1-ium-4-yl)azanium Openeye Name: (2-hydroxy-3-methoxy-phenyl)methyl-(1-isopropylpiperidin-1-ium-4-yl)ammonium CAS Name: (2-hydroxy-3-methoxyphenyl)methyl-(1-propan-2-yl-4-piperidin-1-iumyl)ammonium IUPAC Name: (2-hydroxy-3-methoxyphenyl)methyl-(1-propan-2-ylpiperidin-1-ium-4-yl)azanium Traditional Name: (2-hydroxy-3-methoxy-benzyl)-(1-isopropylpiperidin-1-ium-4-yl)ammonium Formula: C16H28N2O2+2 MolecularWeight: 280.40572

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)[NH+]1CCC(CC1)[NH2+]CC2=C(C(=CC=C2)OC)O

Isomeric SMILES

CC(C)[NH+]1CCC(CC1)[NH2+]CC2=C(C(=CC=C2)OC)O

InChI

InChI=1S/C16H26N2O2/c1-12(2)18-9-7-14(8-10-18)17-11-13-5-4-6-15(20-3)16(13)19/h4-6,12,14,17,19H,7-11H2,1-3H3/p+2