1-[4-methyl-4-(phenylmethyl)piperazin-4-ium-1-yl]undec-10-en-1-one bromide

Systemtic Name: 1-[4-methyl-4-(phenylmethyl)piperazin-4-ium-1-yl]undec-10-en-1-one bromide Openeye Name: 1-(4-benzyl-4-methyl-piperazin-4-ium-1-yl)undec-10-en-1-one bromide CAS Name: 1-[4-methyl-4-(phenylmethyl)-1-piperazin-4-iumyl]-10-undecen-1-one bromide IUPAC Name: 1-(4-benzyl-4-methylpiperazin-4-ium-1-yl)undec-10-en-1-one bromide Traditional Name: 1-(4-benzyl-4-methyl-piperazin-4-ium-1-yl)undec-10-en-1-one bromide Formula: C23H37BrN2O MolecularWeight: 437.45668

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCN(CC1)C(=O)CCCCCCCCC=C)CC2=CC=CC=C2.[Br-]

Isomeric SMILES

C[N+]1(CCN(CC1)C(=O)CCCCCCCCC=C)CC2=CC=CC=C2.[Br-]

InChI

InChI=1S/C23H37N2O.BrH/c1-3-4-5-6-7-8-9-13-16-23(26)24-17-19-25(2,20-18-24)21-22-14-11-10-12-15-22;/h3,10-12,14-15H,1,4-9,13,16-21H2,2H3;1H/q+1;/p-1