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

Systemtic Name: (4-ethylpiperazin-1-yl)-[1-[(4-phenylmethoxyphenyl)methyl]piperidin-1-ium-4-yl]methanone Openeye Name: [1-[(4-benzyloxyphenyl)methyl]piperidin-1-ium-4-yl]-(4-ethylpiperazin-1-yl)methanone CAS Name: (4-ethyl-1-piperazinyl)-[1-[(4-phenylmethoxyphenyl)methyl]-4-piperidin-1-iumyl]methanone IUPAC Name: (4-ethylpiperazin-1-yl)-[1-[(4-phenylmethoxyphenyl)methyl]piperidin-1-ium-4-yl]methanone Traditional Name: [1-(4-benzoxybenzyl)piperidin-1-ium-4-yl]-(4-ethylpiperazino)methanone Formula: C26H36N3O2+ MolecularWeight: 422.58294

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C(=O)C2CC[NH+](CC2)CC3=CC=C(C=C3)OCC4=CC=CC=C4

Isomeric SMILES

CCN1CCN(CC1)C(=O)C2CC[NH+](CC2)CC3=CC=C(C=C3)OCC4=CC=CC=C4

InChI

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