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

Systemtic Name: [4-(2-ethoxyphenyl)piperazin-1-yl]-[1-[(4-ethylphenyl)methyl]piperidin-1-ium-4-yl]methanone Openeye Name: [4-(2-ethoxyphenyl)piperazin-1-yl]-[1-[(4-ethylphenyl)methyl]piperidin-1-ium-4-yl]methanone CAS Name: [4-(2-ethoxyphenyl)-1-piperazinyl]-[1-[(4-ethylphenyl)methyl]-4-piperidin-1-iumyl]methanone IUPAC Name: [4-(2-ethoxyphenyl)piperazin-1-yl]-[1-[(4-ethylphenyl)methyl]piperidin-1-ium-4-yl]methanone Traditional Name: [1-(4-ethylbenzyl)piperidin-1-ium-4-yl]-(4-o-phenetylpiperazino)methanone Formula: C27H38N3O2+ MolecularWeight: 436.60952

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C[NH+]2CCC(CC2)C(=O)N3CCN(CC3)C4=CC=CC=C4OCC

Isomeric SMILES

CCC1=CC=C(C=C1)C[NH+]2CCC(CC2)C(=O)N3CCN(CC3)C4=CC=CC=C4OCC

InChI

InChI=1S/C27H37N3O2/c1-3-22-9-11-23(12-10-22)21-28-15-13-24(14-16-28)27(31)30-19-17-29(18-20-30)25-7-5-6-8-26(25)32-4-2/h5-12,24H,3-4,13-21H2,1-2H3/p+1