1-piperidin-1-yl-2-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazine-1,4-diium-1-yl]ethanone

Systemtic Name: 1-piperidin-1-yl-2-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazine-1,4-diium-1-yl]ethanone Openeye Name: 1-(1-piperidyl)-2-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazine-1,4-diium-1-yl]ethanone CAS Name: 1-(1-piperidinyl)-2-[4-[(2,3,4-trimethoxyphenyl)methyl]-1-piperazine-1,4-diiumyl]ethanone IUPAC Name: 1-piperidin-1-yl-2-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazine-1,4-diium-1-yl]ethanone Traditional Name: 1-piperidino-2-[4-(2,3,4-trimethoxybenzyl)piperazine-1,4-diium-1-yl]ethanone Formula: C21H35N3O4+2 MolecularWeight: 393.5203

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C(C=C1)C[NH+]2CC[NH+](CC2)CC(=O)N3CCCCC3)OC)OC

Isomeric SMILES

COC1=C(C(=C(C=C1)C[NH+]2CC[NH+](CC2)CC(=O)N3CCCCC3)OC)OC

InChI

InChI=1S/C21H33N3O4/c1-26-18-8-7-17(20(27-2)21(18)28-3)15-22-11-13-23(14-12-22)16-19(25)24-9-5-4-6-10-24/h7-8H,4-6,9-16H2,1-3H3/p+2