1-phenyl-4-[1-[(2,4,5-trimethoxyphenyl)methyl]piperidin-1-ium-4-yl]piperazin-4-ium

Systemtic Name: 1-phenyl-4-[1-[(2,4,5-trimethoxyphenyl)methyl]piperidin-1-ium-4-yl]piperazin-4-ium Openeye Name: 1-phenyl-4-[1-[(2,4,5-trimethoxyphenyl)methyl]piperidin-1-ium-4-yl]piperazin-4-ium CAS Name: 1-phenyl-4-[1-[(2,4,5-trimethoxyphenyl)methyl]-4-piperidin-1-iumyl]piperazin-4-ium IUPAC Name: 1-phenyl-4-[1-[(2,4,5-trimethoxyphenyl)methyl]piperidin-1-ium-4-yl]piperazin-4-ium Traditional Name: 1-phenyl-4-[1-(2,4,5-trimethoxybenzyl)piperidin-1-ium-4-yl]piperazin-4-ium Formula: C25H37N3O3+2 MolecularWeight: 427.57958

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1C[NH+]2CCC(CC2)[NH+]3CCN(CC3)C4=CC=CC=C4)OC)OC

Isomeric SMILES

COC1=CC(=C(C=C1C[NH+]2CCC(CC2)[NH+]3CCN(CC3)C4=CC=CC=C4)OC)OC

InChI

InChI=1S/C25H35N3O3/c1-29-23-18-25(31-3)24(30-2)17-20(23)19-26-11-9-22(10-12-26)28-15-13-27(14-16-28)21-7-5-4-6-8-21/h4-8,17-18,22H,9-16,19H2,1-3H3/p+2