[4-(2-ethoxyphenyl)piperazin-1-yl]-[1-[(3-methylphenyl)methyl]piperidin-1-ium-4-yl]methanone

Systemtic Name: [4-(2-ethoxyphenyl)piperazin-1-yl]-[1-[(3-methylphenyl)methyl]piperidin-1-ium-4-yl]methanone Openeye Name: [4-(2-ethoxyphenyl)piperazin-1-yl]-[1-(m-tolylmethyl)piperidin-1-ium-4-yl]methanone CAS Name: [4-(2-ethoxyphenyl)-1-piperazinyl]-[1-[(3-methylphenyl)methyl]-4-piperidin-1-iumyl]methanone IUPAC Name: [4-(2-ethoxyphenyl)piperazin-1-yl]-[1-[(3-methylphenyl)methyl]piperidin-1-ium-4-yl]methanone Traditional Name: [1-(3-methylbenzyl)piperidin-1-ium-4-yl]-(4-o-phenetylpiperazino)methanone Formula: C26H36N3O2+ MolecularWeight: 422.58294

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1N2CCN(CC2)C(=O)C3CC[NH+](CC3)CC4=CC=CC(=C4)C

Isomeric SMILES

CCOC1=CC=CC=C1N2CCN(CC2)C(=O)C3CC[NH+](CC3)CC4=CC=CC(=C4)C

InChI

InChI=1S/C26H35N3O2/c1-3-31-25-10-5-4-9-24(25)28-15-17-29(18-16-28)26(30)23-11-13-27(14-12-23)20-22-8-6-7-21(2)19-22/h4-10,19,23H,3,11-18,20H2,1-2H3/p+1