1-[1-[(2,3,4-trimethoxyphenyl)methyl]piperidin-1-ium-4-yl]azepan-1-ium

Systemtic Name: 1-[1-[(2,3,4-trimethoxyphenyl)methyl]piperidin-1-ium-4-yl]azepan-1-ium Openeye Name: 1-[1-[(2,3,4-trimethoxyphenyl)methyl]piperidin-1-ium-4-yl]azepan-1-ium CAS Name: 1-[1-[(2,3,4-trimethoxyphenyl)methyl]-4-piperidin-1-iumyl]azepan-1-ium IUPAC Name: 1-[1-[(2,3,4-trimethoxyphenyl)methyl]piperidin-1-ium-4-yl]azepan-1-ium Traditional Name: 1-[1-(2,3,4-trimethoxybenzyl)piperidin-1-ium-4-yl]azepan-1-ium Formula: C21H36N2O3+2 MolecularWeight: 364.52214

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C(C=C1)C[NH+]2CCC(CC2)[NH+]3CCCCCC3)OC)OC

Isomeric SMILES

COC1=C(C(=C(C=C1)C[NH+]2CCC(CC2)[NH+]3CCCCCC3)OC)OC

InChI

InChI=1S/C21H34N2O3/c1-24-19-9-8-17(20(25-2)21(19)26-3)16-22-14-10-18(11-15-22)23-12-6-4-5-7-13-23/h8-9,18H,4-7,10-16H2,1-3H3/p+2