[4-[(2,5-dimethoxyphenyl)methyl]piperazin-4-ium-1-yl]-(2-pyrrolidin-1-ylpyridin-1-ium-3-yl)methanone

Systemtic Name: [4-[(2,5-dimethoxyphenyl)methyl]piperazin-4-ium-1-yl]-(2-pyrrolidin-1-ylpyridin-1-ium-3-yl)methanone Openeye Name: [4-[(2,5-dimethoxyphenyl)methyl]piperazin-4-ium-1-yl]-(2-pyrrolidin-1-ylpyridin-1-ium-3-yl)methanone CAS Name: [4-[(2,5-dimethoxyphenyl)methyl]-1-piperazin-4-iumyl]-[2-(1-pyrrolidinyl)-3-pyridin-1-iumyl]methanone IUPAC Name: [4-[(2,5-dimethoxyphenyl)methyl]piperazin-4-ium-1-yl]-(2-pyrrolidin-1-ylpyridin-1-ium-3-yl)methanone Traditional Name: [4-(2,5-dimethoxybenzyl)piperazin-4-ium-1-yl]-(2-pyrrolidinopyridin-1-ium-3-yl)methanone Formula: C23H32N4O3+2 MolecularWeight: 412.52518

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)C[NH+]2CCN(CC2)C(=O)C3=C([NH+]=CC=C3)N4CCCC4

Isomeric SMILES

COC1=CC(=C(C=C1)OC)C[NH+]2CCN(CC2)C(=O)C3=C([NH+]=CC=C3)N4CCCC4

InChI

InChI=1S/C23H30N4O3/c1-29-19-7-8-21(30-2)18(16-19)17-25-12-14-27(15-13-25)23(28)20-6-5-9-24-22(20)26-10-3-4-11-26/h5-9,16H,3-4,10-15,17H2,1-2H3/p+2