(4-ethylpiperazin-1-yl)-[1-[(3,4,5-trimethoxyphenyl)methyl]piperidin-1-ium-4-yl]methanone

Systemtic Name: (4-ethylpiperazin-1-yl)-[1-[(3,4,5-trimethoxyphenyl)methyl]piperidin-1-ium-4-yl]methanone Openeye Name: (4-ethylpiperazin-1-yl)-[1-[(3,4,5-trimethoxyphenyl)methyl]piperidin-1-ium-4-yl]methanone CAS Name: (4-ethyl-1-piperazinyl)-[1-[(3,4,5-trimethoxyphenyl)methyl]-4-piperidin-1-iumyl]methanone IUPAC Name: (4-ethylpiperazin-1-yl)-[1-[(3,4,5-trimethoxyphenyl)methyl]piperidin-1-ium-4-yl]methanone Traditional Name: (4-ethylpiperazino)-[1-(3,4,5-trimethoxybenzyl)piperidin-1-ium-4-yl]methanone Formula: C22H36N3O4+ MolecularWeight: 406.53894

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C(=O)C2CC[NH+](CC2)CC3=CC(=C(C(=C3)OC)OC)OC

Isomeric SMILES

CCN1CCN(CC1)C(=O)C2CC[NH+](CC2)CC3=CC(=C(C(=C3)OC)OC)OC

InChI

InChI=1S/C22H35N3O4/c1-5-23-10-12-25(13-11-23)22(26)18-6-8-24(9-7-18)16-17-14-19(27-2)21(29-4)20(15-17)28-3/h14-15,18H,5-13,16H2,1-4H3/p+1