[5-(3-chloranyl-4-methoxy-phenyl)furan-2-yl]methyl-(piperidin-1-ium-4-ylmethyl)azanium

Systemtic Name: [5-(3-chloranyl-4-methoxy-phenyl)furan-2-yl]methyl-(piperidin-1-ium-4-ylmethyl)azanium Openeye Name: [5-(3-chloro-4-methoxy-phenyl)-2-furyl]methyl-(piperidin-1-ium-4-ylmethyl)ammonium CAS Name: [5-(3-chloro-4-methoxyphenyl)-2-furanyl]methyl-(4-piperidin-1-iumylmethyl)ammonium IUPAC Name: [5-(3-chloro-4-methoxyphenyl)furan-2-yl]methyl-(piperidin-1-ium-4-ylmethyl)azanium Traditional Name: [5-(3-chloro-4-methoxy-phenyl)-2-furyl]methyl-(piperidin-1-ium-4-ylmethyl)ammonium Formula: C18H25ClN2O2+2 MolecularWeight: 336.8563

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=CC=C(O2)C[NH2+]CC3CC[NH2+]CC3)Cl

Isomeric SMILES

COC1=C(C=C(C=C1)C2=CC=C(O2)C[NH2+]CC3CC[NH2+]CC3)Cl

InChI

InChI=1S/C18H23ClN2O2/c1-22-18-4-2-14(10-16(18)19)17-5-3-15(23-17)12-21-11-13-6-8-20-9-7-13/h2-5,10,13,20-21H,6-9,11-12H2,1H3/p+2