1-(1-methylpiperidin-1-ium-1-yl)-4-(phenylmethyl)piperazin-4-ium bromide

Systemtic Name: 1-(1-methylpiperidin-1-ium-1-yl)-4-(phenylmethyl)piperazin-4-ium bromide Openeye Name: 1-benzyl-4-(1-methylpiperidin-1-ium-1-yl)piperazin-1-ium bromide CAS Name: 1-(1-methyl-1-piperidin-1-iumyl)-4-(phenylmethyl)piperazin-4-ium bromide IUPAC Name: 1-benzyl-4-(1-methylpiperidin-1-ium-1-yl)piperazin-1-ium bromide Traditional Name: 1-benzyl-4-(1-methylpiperidin-1-ium-1-yl)piperazin-1-ium bromide Formula: C17H29BrN3+ MolecularWeight: 355.33626

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCCCC1)N2CC[NH+](CC2)CC3=CC=CC=C3.[Br-]

Isomeric SMILES

C[N+]1(CCCCC1)N2CC[NH+](CC2)CC3=CC=CC=C3.[Br-]

InChI

InChI=1S/C17H28N3.BrH/c1-20(14-6-3-7-15-20)19-12-10-18(11-13-19)16-17-8-4-2-5-9-17;/h2,4-5,8-9H,3,6-7,10-16H2,1H3;1H/q+1;