(3-chloranyl-4,5-dimethoxy-phenyl)-(4-pyridin-1-ium-4-ylpiperazin-1-yl)methanone

Systemtic Name: (3-chloranyl-4,5-dimethoxy-phenyl)-(4-pyridin-1-ium-4-ylpiperazin-1-yl)methanone Openeye Name: (3-chloro-4,5-dimethoxy-phenyl)-(4-pyridin-1-ium-4-ylpiperazin-1-yl)methanone CAS Name: (3-chloro-4,5-dimethoxyphenyl)-[4-(4-pyridin-1-iumyl)-1-piperazinyl]methanone IUPAC Name: (3-chloro-4,5-dimethoxyphenyl)-(4-pyridin-1-ium-4-ylpiperazin-1-yl)methanone Traditional Name: (3-chloro-4,5-dimethoxy-phenyl)-(4-pyridin-1-ium-4-ylpiperazino)methanone Formula: C18H21ClN3O3+ MolecularWeight: 362.83064

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H20ClN3O3/c1-24-16-12-13(11-15(19)17(16)25-2)18(23)22-9-7-21(8-10-22)14-3-5-20-6-4-14/h3-6,11-12H,7-10H2,1-2H3/p+1