1-[(2,4-dimethoxy-3-methyl-phenyl)methyl]-4-pyridin-1-ium-2-yl-piperazin-1-ium

Systemtic Name: 1-[(2,4-dimethoxy-3-methyl-phenyl)methyl]-4-pyridin-1-ium-2-yl-piperazin-1-ium Openeye Name: 1-[(2,4-dimethoxy-3-methyl-phenyl)methyl]-4-pyridin-1-ium-2-yl-piperazin-1-ium CAS Name: 1-[(2,4-dimethoxy-3-methylphenyl)methyl]-4-(2-pyridin-1-iumyl)piperazin-1-ium IUPAC Name: 1-[(2,4-dimethoxy-3-methylphenyl)methyl]-4-pyridin-1-ium-2-ylpiperazin-1-ium Traditional Name: 1-(2,4-dimethoxy-3-methyl-benzyl)-4-pyridin-1-ium-2-yl-piperazin-1-ium Formula: C19H27N3O2+2 MolecularWeight: 329.43658

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1OC)C[NH+]2CCN(CC2)C3=CC=CC=[NH+]3)OC

Isomeric SMILES

CC1=C(C=CC(=C1OC)C[NH+]2CCN(CC2)C3=CC=CC=[NH+]3)OC

InChI

InChI=1S/C19H25N3O2/c1-15-17(23-2)8-7-16(19(15)24-3)14-21-10-12-22(13-11-21)18-6-4-5-9-20-18/h4-9H,10-14H2,1-3H3/p+2