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

Systemtic Name: [1-[(4-ethoxyphenyl)methyl]piperidin-1-ium-4-yl]-[4-(2-ethoxyphenyl)piperazin-1-yl]methanone Openeye Name: [1-[(4-ethoxyphenyl)methyl]piperidin-1-ium-4-yl]-[4-(2-ethoxyphenyl)piperazin-1-yl]methanone CAS Name: [1-[(4-ethoxyphenyl)methyl]-4-piperidin-1-iumyl]-[4-(2-ethoxyphenyl)-1-piperazinyl]methanone IUPAC Name: [1-[(4-ethoxyphenyl)methyl]piperidin-1-ium-4-yl]-[4-(2-ethoxyphenyl)piperazin-1-yl]methanone Traditional Name: [1-(4-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=C(C=C1)C[NH+]2CCC(CC2)C(=O)N3CCN(CC3)C4=CC=CC=C4OCC

Isomeric SMILES

CCOC1=CC=C(C=C1)C[NH+]2CCC(CC2)C(=O)N3CCN(CC3)C4=CC=CC=C4OCC

InChI

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