[1-[(2-ethoxyphenyl)methyl]piperidin-1-ium-4-yl]-[4-(phenylmethyl)piperazin-1-yl]methanone

Systemtic Name: [1-[(2-ethoxyphenyl)methyl]piperidin-1-ium-4-yl]-[4-(phenylmethyl)piperazin-1-yl]methanone Openeye Name: (4-benzylpiperazin-1-yl)-[1-[(2-ethoxyphenyl)methyl]piperidin-1-ium-4-yl]methanone CAS Name: [1-[(2-ethoxyphenyl)methyl]-4-piperidin-1-iumyl]-[4-(phenylmethyl)-1-piperazinyl]methanone IUPAC Name: (4-benzylpiperazin-1-yl)-[1-[(2-ethoxyphenyl)methyl]piperidin-1-ium-4-yl]methanone Traditional Name: (4-benzylpiperazino)-[1-(2-ethoxybenzyl)piperidin-1-ium-4-yl]methanone Formula: C26H36N3O2+ MolecularWeight: 422.58294

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1C[NH+]2CCC(CC2)C(=O)N3CCN(CC3)CC4=CC=CC=C4

Isomeric SMILES

CCOC1=CC=CC=C1C[NH+]2CCC(CC2)C(=O)N3CCN(CC3)CC4=CC=CC=C4

InChI

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