1-[4-methyl-4-(phenylmethyl)piperazin-4-ium-1-yl]octadecan-1-one

Systemtic Name: 1-[4-methyl-4-(phenylmethyl)piperazin-4-ium-1-yl]octadecan-1-one Openeye Name: 1-(4-benzyl-4-methyl-piperazin-4-ium-1-yl)octadecan-1-one CAS Name: 1-[4-methyl-4-(phenylmethyl)-1-piperazin-4-iumyl]-1-octadecanone IUPAC Name: 1-(4-benzyl-4-methylpiperazin-4-ium-1-yl)octadecan-1-one Traditional Name: 1-(4-benzyl-4-methyl-piperazin-4-ium-1-yl)octadecan-1-one Formula: C30H53N2O+ MolecularWeight: 457.75462

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)N1CC[N+](CC1)(C)CC2=CC=CC=C2

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)N1CC[N+](CC1)(C)CC2=CC=CC=C2

InChI

InChI=1S/C30H53N2O/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-23-30(33)31-24-26-32(2,27-25-31)28-29-21-18-17-19-22-29/h17-19,21-22H,3-16,20,23-28H2,1-2H3/q+1