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

Systemtic Name: [1-[(3-bromophenyl)methyl]piperidin-1-ium-4-yl]-[4-(phenylmethyl)piperazin-1-yl]methanone Openeye Name: (4-benzylpiperazin-1-yl)-[1-[(3-bromophenyl)methyl]piperidin-1-ium-4-yl]methanone CAS Name: [1-[(3-bromophenyl)methyl]-4-piperidin-1-iumyl]-[4-(phenylmethyl)-1-piperazinyl]methanone IUPAC Name: (4-benzylpiperazin-1-yl)-[1-[(3-bromophenyl)methyl]piperidin-1-ium-4-yl]methanone Traditional Name: (4-benzylpiperazino)-[1-(3-bromobenzyl)piperidin-1-ium-4-yl]methanone Formula: C24H31BrN3O+ MolecularWeight: 457.42644

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1C(=O)N2CCN(CC2)CC3=CC=CC=C3)CC4=CC(=CC=C4)Br

Isomeric SMILES

C1C[NH+](CCC1C(=O)N2CCN(CC2)CC3=CC=CC=C3)CC4=CC(=CC=C4)Br

InChI

InChI=1S/C24H30BrN3O/c25-23-8-4-7-21(17-23)19-26-11-9-22(10-12-26)24(29)28-15-13-27(14-16-28)18-20-5-2-1-3-6-20/h1-8,17,22H,9-16,18-19H2/p+1