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

Systemtic Name: [4-(2-ethoxyphenyl)piperazin-1-yl]-[1-[(3-phenoxyphenyl)methyl]piperidin-1-ium-4-yl]methanone Openeye Name: [4-(2-ethoxyphenyl)piperazin-1-yl]-[1-[(3-phenoxyphenyl)methyl]piperidin-1-ium-4-yl]methanone CAS Name: [4-(2-ethoxyphenyl)-1-piperazinyl]-[1-[(3-phenoxyphenyl)methyl]-4-piperidin-1-iumyl]methanone IUPAC Name: [4-(2-ethoxyphenyl)piperazin-1-yl]-[1-[(3-phenoxyphenyl)methyl]piperidin-1-ium-4-yl]methanone Traditional Name: (4-o-phenetylpiperazino)-[1-(3-phenoxybenzyl)piperidin-1-ium-4-yl]methanone Formula: C31H38N3O3+ MolecularWeight: 500.65172

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1N2CCN(CC2)C(=O)C3CC[NH+](CC3)CC4=CC(=CC=C4)OC5=CC=CC=C5

Isomeric SMILES

CCOC1=CC=CC=C1N2CCN(CC2)C(=O)C3CC[NH+](CC3)CC4=CC(=CC=C4)OC5=CC=CC=C5

InChI

InChI=1S/C31H37N3O3/c1-2-36-30-14-7-6-13-29(30)33-19-21-34(22-20-33)31(35)26-15-17-32(18-16-26)24-25-9-8-12-28(23-25)37-27-10-4-3-5-11-27/h3-14,23,26H,2,15-22,24H2,1H3/p+1