1-[(2,5-dimethoxyphenyl)methyl]-4-[(3S)-3-methylpiperidin-1-ium-1-yl]piperidin-1-ium

Systemtic Name: 1-[(2,5-dimethoxyphenyl)methyl]-4-[(3S)-3-methylpiperidin-1-ium-1-yl]piperidin-1-ium Openeye Name: 1-[(2,5-dimethoxyphenyl)methyl]-4-[(3S)-3-methylpiperidin-1-ium-1-yl]piperidin-1-ium CAS Name: 1-[(2,5-dimethoxyphenyl)methyl]-4-[(3S)-3-methyl-1-piperidin-1-iumyl]piperidin-1-ium IUPAC Name: 1-[(2,5-dimethoxyphenyl)methyl]-4-[(3S)-3-methylpiperidin-1-ium-1-yl]piperidin-1-ium Traditional Name: 1-(2,5-dimethoxybenzyl)-4-[(3S)-3-methylpiperidin-1-ium-1-yl]piperidin-1-ium Formula: C20H34N2O2+2 MolecularWeight: 334.49616

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC[NH+](C1)C2CC[NH+](CC2)CC3=C(C=CC(=C3)OC)OC

Isomeric SMILES

C[C@H]1CCC[NH+](C1)C2CC[NH+](CC2)CC3=C(C=CC(=C3)OC)OC

InChI

InChI=1S/C20H32N2O2/c1-16-5-4-10-22(14-16)18-8-11-21(12-9-18)15-17-13-19(23-2)6-7-20(17)24-3/h6-7,13,16,18H,4-5,8-12,14-15H2,1-3H3/p+2/t16-/m0/s1