4-methoxy-2-[(4-piperidin-1-ium-1-ylpiperidin-1-ium-1-yl)methyl]phenol

Systemtic Name: 4-methoxy-2-[(4-piperidin-1-ium-1-ylpiperidin-1-ium-1-yl)methyl]phenol Openeye Name: 4-methoxy-2-[(4-piperidin-1-ium-1-ylpiperidin-1-ium-1-yl)methyl]phenol CAS Name: 4-methoxy-2-[[4-(1-piperidin-1-iumyl)-1-piperidin-1-iumyl]methyl]phenol IUPAC Name: 4-methoxy-2-[(4-piperidin-1-ium-1-ylpiperidin-1-ium-1-yl)methyl]phenol Traditional Name: 4-methoxy-2-[(4-piperidin-1-ium-1-ylpiperidin-1-ium-1-yl)methyl]phenol Formula: C18H30N2O2+2 MolecularWeight: 306.443

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)O)C[NH+]2CCC(CC2)[NH+]3CCCCC3

Isomeric SMILES

COC1=CC(=C(C=C1)O)C[NH+]2CCC(CC2)[NH+]3CCCCC3

InChI

InChI=1S/C18H28N2O2/c1-22-17-5-6-18(21)15(13-17)14-19-11-7-16(8-12-19)20-9-3-2-4-10-20/h5-6,13,16,21H,2-4,7-12,14H2,1H3/p+2