[4-[(2,4-dichlorophenyl)methoxy]-3-methoxy-phenyl]-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanone

Systemtic Name: [4-[(2,4-dichlorophenyl)methoxy]-3-methoxy-phenyl]-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanone Openeye Name: [4-[(2,4-dichlorophenyl)methoxy]-3-methoxy-phenyl]-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanone CAS Name: [4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]-[4-(2-pyridin-1-iumyl)-1-piperazinyl]methanone IUPAC Name: [4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanone Traditional Name: [4-(2,4-dichlorobenzyl)oxy-3-methoxy-phenyl]-(4-pyridin-1-ium-2-ylpiperazino)methanone Formula: C24H24Cl2N3O3+ MolecularWeight: 473.37166

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C(=O)N2CCN(CC2)C3=CC=CC=[NH+]3)OCC4=C(C=C(C=C4)Cl)Cl

Isomeric SMILES

COC1=C(C=CC(=C1)C(=O)N2CCN(CC2)C3=CC=CC=[NH+]3)OCC4=C(C=C(C=C4)Cl)Cl

InChI

InChI=1S/C24H23Cl2N3O3/c1-31-22-14-17(6-8-21(22)32-16-18-5-7-19(25)15-20(18)26)24(30)29-12-10-28(11-13-29)23-4-2-3-9-27-23/h2-9,14-15H,10-13,16H2,1H3/p+1