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

Systemtic Name: [5-(3-chloranyl-2-methyl-phenyl)furan-2-yl]methyl-(piperidin-1-ium-4-ylmethyl)azanium Openeye Name: [5-(3-chloro-2-methyl-phenyl)-2-furyl]methyl-(piperidin-1-ium-4-ylmethyl)ammonium CAS Name: [5-(3-chloro-2-methylphenyl)-2-furanyl]methyl-(4-piperidin-1-iumylmethyl)ammonium IUPAC Name: [5-(3-chloro-2-methylphenyl)furan-2-yl]methyl-(piperidin-1-ium-4-ylmethyl)azanium Traditional Name: [5-(3-chloro-2-methyl-phenyl)-2-furyl]methyl-(piperidin-1-ium-4-ylmethyl)ammonium Formula: C18H25ClN2O+2 MolecularWeight: 320.8569

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1Cl)C2=CC=C(O2)C[NH2+]CC3CC[NH2+]CC3

Isomeric SMILES

CC1=C(C=CC=C1Cl)C2=CC=C(O2)C[NH2+]CC3CC[NH2+]CC3

InChI

InChI=1S/C18H23ClN2O/c1-13-16(3-2-4-17(13)19)18-6-5-15(22-18)12-21-11-14-7-9-20-10-8-14/h2-6,14,20-21H,7-12H2,1H3/p+2