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

Systemtic Name: 3-[(3-bromophenyl)methylazaniumyl]propyl-methyl-(phenylmethyl)azanium Openeye Name: benzyl-[3-[(3-bromophenyl)methylammonio]propyl]-methyl-ammonium CAS Name: 3-[(3-bromophenyl)methylammonio]propyl-methyl-(phenylmethyl)ammonium IUPAC Name: benzyl-[3-[(3-bromophenyl)methylazaniumyl]propyl]-methylazanium Traditional Name: benzyl-[3-[(3-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(=CC=C1)Br)CC2=CC=CC=C2

Isomeric SMILES

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

InChI

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