(3-methoxy-4-oxidanyl-phenyl)methyl-(1-propylpiperidin-1-ium-4-yl)azanium

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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