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

Systemtic Name: (3-chloranyl-4-piperidin-1-ium-1-yl-phenyl)-[(2-methoxyphenyl)methyl]azanium Openeye Name: (3-chloro-4-piperidin-1-ium-1-yl-phenyl)-[(2-methoxyphenyl)methyl]ammonium CAS Name: [3-chloro-4-(1-piperidin-1-iumyl)phenyl]-[(2-methoxyphenyl)methyl]ammonium IUPAC Name: (3-chloro-4-piperidin-1-ium-1-ylphenyl)-[(2-methoxyphenyl)methyl]azanium Traditional Name: (3-chloro-4-piperidin-1-ium-1-yl-phenyl)-o-anisyl-ammonium Formula: C19H25ClN2O+2 MolecularWeight: 332.8676

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C[NH2+]C2=CC(=C(C=C2)[NH+]3CCCCC3)Cl

Isomeric SMILES

COC1=CC=CC=C1C[NH2+]C2=CC(=C(C=C2)[NH+]3CCCCC3)Cl

InChI

InChI=1S/C19H23ClN2O/c1-23-19-8-4-3-7-15(19)14-21-16-9-10-18(17(20)13-16)22-11-5-2-6-12-22/h3-4,7-10,13,21H,2,5-6,11-12,14H2,1H3/p+2