3-[(4-bromophenyl)methylazaniumyl]propyl-methyl-(phenylmethyl)azanium

Systemtic Name: 3-[(4-bromophenyl)methylazaniumyl]propyl-methyl-(phenylmethyl)azanium Openeye Name: benzyl-[3-[(4-bromophenyl)methylammonio]propyl]-methyl-ammonium CAS Name: 3-[(4-bromophenyl)methylammonio]propyl-methyl-(phenylmethyl)ammonium IUPAC Name: benzyl-[3-[(4-bromophenyl)methylazaniumyl]propyl]-methylazanium Traditional Name: benzyl-[3-[(4-bromobenzyl)ammonio]propyl]-methyl-ammonium Formula: C18H25BrN2+2 MolecularWeight: 349.3085

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CCC[NH2+]CC1=CC=C(C=C1)Br)CC2=CC=CC=C2

Isomeric SMILES

C[NH+](CCC[NH2+]CC1=CC=C(C=C1)Br)CC2=CC=CC=C2

InChI

InChI=1S/C18H23BrN2/c1-21(15-17-6-3-2-4-7-17)13-5-12-20-14-16-8-10-18(19)11-9-16/h2-4,6-11,20H,5,12-15H2,1H3/p+2