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

Systemtic Name: [1-[(3-bromophenyl)methyl]piperidin-1-ium-4-yl]-[4-(2-ethoxyphenyl)piperazin-1-yl]methanone Openeye Name: [1-[(3-bromophenyl)methyl]piperidin-1-ium-4-yl]-[4-(2-ethoxyphenyl)piperazin-1-yl]methanone CAS Name: [1-[(3-bromophenyl)methyl]-4-piperidin-1-iumyl]-[4-(2-ethoxyphenyl)-1-piperazinyl]methanone IUPAC Name: [1-[(3-bromophenyl)methyl]piperidin-1-ium-4-yl]-[4-(2-ethoxyphenyl)piperazin-1-yl]methanone Traditional Name: [1-(3-bromobenzyl)piperidin-1-ium-4-yl]-(4-o-phenetylpiperazino)methanone Formula: C25H33BrN3O2+ MolecularWeight: 487.45242

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H32BrN3O2/c1-2-31-24-9-4-3-8-23(24)28-14-16-29(17-15-28)25(30)21-10-12-27(13-11-21)19-20-6-5-7-22(26)18-20/h3-9,18,21H,2,10-17,19H2,1H3/p+1