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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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