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

Systemtic Name: [1-[(2-ethoxyphenyl)methyl]piperidin-1-ium-4-yl]-[4-(2-ethoxyphenyl)piperazin-1-yl]methanone Openeye Name: [1-[(2-ethoxyphenyl)methyl]piperidin-1-ium-4-yl]-[4-(2-ethoxyphenyl)piperazin-1-yl]methanone CAS Name: [1-[(2-ethoxyphenyl)methyl]-4-piperidin-1-iumyl]-[4-(2-ethoxyphenyl)-1-piperazinyl]methanone IUPAC Name: [1-[(2-ethoxyphenyl)methyl]piperidin-1-ium-4-yl]-[4-(2-ethoxyphenyl)piperazin-1-yl]methanone Traditional Name: [1-(2-ethoxybenzyl)piperidin-1-ium-4-yl]-(4-o-phenetylpiperazino)methanone Formula: C27H38N3O3+ MolecularWeight: 452.60892

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1C[NH+]2CCC(CC2)C(=O)N3CCN(CC3)C4=CC=CC=C4OCC

Isomeric SMILES

CCOC1=CC=CC=C1C[NH+]2CCC(CC2)C(=O)N3CCN(CC3)C4=CC=CC=C4OCC

InChI

InChI=1S/C27H37N3O3/c1-3-32-25-11-7-5-9-23(25)21-28-15-13-22(14-16-28)27(31)30-19-17-29(18-20-30)24-10-6-8-12-26(24)33-4-2/h5-12,22H,3-4,13-21H2,1-2H3/p+1