(4-ethylpiperazin-4-ium-1-yl)-[1-[(3-phenylmethoxyphenyl)methyl]piperidin-1-ium-4-yl]methanone

Systemtic Name: (4-ethylpiperazin-4-ium-1-yl)-[1-[(3-phenylmethoxyphenyl)methyl]piperidin-1-ium-4-yl]methanone Openeye Name: [1-[(3-benzyloxyphenyl)methyl]piperidin-1-ium-4-yl]-(4-ethylpiperazin-4-ium-1-yl)methanone CAS Name: (4-ethyl-1-piperazin-4-iumyl)-[1-[(3-phenylmethoxyphenyl)methyl]-4-piperidin-1-iumyl]methanone IUPAC Name: (4-ethylpiperazin-4-ium-1-yl)-[1-[(3-phenylmethoxyphenyl)methyl]piperidin-1-ium-4-yl]methanone Traditional Name: [1-(3-benzoxybenzyl)piperidin-1-ium-4-yl]-(4-ethylpiperazin-4-ium-1-yl)methanone Formula: C26H37N3O2+2 MolecularWeight: 423.59088

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C(=O)C2CC[NH+](CC2)CC3=CC(=CC=C3)OCC4=CC=CC=C4

Isomeric SMILES

CC[NH+]1CCN(CC1)C(=O)C2CC[NH+](CC2)CC3=CC(=CC=C3)OCC4=CC=CC=C4

InChI

InChI=1S/C26H35N3O2/c1-2-27-15-17-29(18-16-27)26(30)24-11-13-28(14-12-24)20-23-9-6-10-25(19-23)31-21-22-7-4-3-5-8-22/h3-10,19,24H,2,11-18,20-21H2,1H3/p+2