diethyl-[2-[4-methyl-4-(phenylmethyl)piperazin-4-ium-1-yl]ethyl]-(phenylmethyl)azanium

Systemtic Name: diethyl-[2-[4-methyl-4-(phenylmethyl)piperazin-4-ium-1-yl]ethyl]-(phenylmethyl)azanium Openeye Name: benzyl-[2-(4-benzyl-4-methyl-piperazin-4-ium-1-yl)ethyl]-diethyl-ammonium CAS Name: diethyl-[2-[4-methyl-4-(phenylmethyl)-1-piperazin-4-iumyl]ethyl]-(phenylmethyl)ammonium IUPAC Name: benzyl-[2-(4-benzyl-4-methylpiperazin-4-ium-1-yl)ethyl]-diethylazanium Traditional Name: benzyl-[2-(4-benzyl-4-methyl-piperazin-4-ium-1-yl)ethyl]-diethyl-ammonium Formula: C25H39N3+2 MolecularWeight: 381.59726

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+](CC)(CCN1CC[N+](CC1)(C)CC2=CC=CC=C2)CC3=CC=CC=C3

Isomeric SMILES

CC[N+](CC)(CCN1CC[N+](CC1)(C)CC2=CC=CC=C2)CC3=CC=CC=C3

InChI

InChI=1S/C25H39N3/c1-4-28(5-2,23-25-14-10-7-11-15-25)21-18-26-16-19-27(3,20-17-26)22-24-12-8-6-9-13-24/h6-15H,4-5,16-23H2,1-3H3/q+2