1-[1-[(2,5-dimethoxyphenyl)methyl]piperidin-1-ium-4-yl]-4-methyl-piperazine-1,4-diium

Systemtic Name: 1-[1-[(2,5-dimethoxyphenyl)methyl]piperidin-1-ium-4-yl]-4-methyl-piperazine-1,4-diium Openeye Name: 1-[1-[(2,5-dimethoxyphenyl)methyl]piperidin-1-ium-4-yl]-4-methyl-piperazine-1,4-diium CAS Name: 1-[1-[(2,5-dimethoxyphenyl)methyl]-4-piperidin-1-iumyl]-4-methylpiperazine-1,4-diium IUPAC Name: 1-[1-[(2,5-dimethoxyphenyl)methyl]piperidin-1-ium-4-yl]-4-methylpiperazine-1,4-diium Traditional Name: 1-[1-(2,5-dimethoxybenzyl)piperidin-1-ium-4-yl]-4-methyl-piperazine-1,4-diium Formula: C19H34N3O2+3 MolecularWeight: 336.49216

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CC[NH+](CC1)C2CC[NH+](CC2)CC3=C(C=CC(=C3)OC)OC

Isomeric SMILES

C[NH+]1CC[NH+](CC1)C2CC[NH+](CC2)CC3=C(C=CC(=C3)OC)OC

InChI

InChI=1S/C19H31N3O2/c1-20-10-12-22(13-11-20)17-6-8-21(9-7-17)15-16-14-18(23-2)4-5-19(16)24-3/h4-5,14,17H,6-13,15H2,1-3H3/p+3