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

Systemtic Name: [4-[(2-chlorophenyl)methoxy]-3-methoxy-phenyl]-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanone Openeye Name: [4-[(2-chlorophenyl)methoxy]-3-methoxy-phenyl]-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanone CAS Name: [4-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]-[4-(2-pyridin-1-iumyl)-1-piperazinyl]methanone IUPAC Name: [4-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanone Traditional Name: [4-(2-chlorobenzyl)oxy-3-methoxy-phenyl]-(4-pyridin-1-ium-2-ylpiperazino)methanone Formula: C24H25ClN3O3+ MolecularWeight: 438.9266

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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=CC=CC=C4Cl

Isomeric SMILES

COC1=C(C=CC(=C1)C(=O)N2CCN(CC2)C3=CC=CC=[NH+]3)OCC4=CC=CC=C4Cl

InChI

InChI=1S/C24H24ClN3O3/c1-30-22-16-18(9-10-21(22)31-17-19-6-2-3-7-20(19)25)24(29)28-14-12-27(13-15-28)23-8-4-5-11-26-23/h2-11,16H,12-15,17H2,1H3/p+1