(3-bromophenyl)methyl-(1-phenethylpiperidin-1-ium-4-yl)azanium

Systemtic Name: (3-bromophenyl)methyl-(1-phenethylpiperidin-1-ium-4-yl)azanium Openeye Name: (3-bromophenyl)methyl-(1-phenethylpiperidin-1-ium-4-yl)ammonium CAS Name: (3-bromophenyl)methyl-(1-phenethyl-4-piperidin-1-iumyl)ammonium IUPAC Name: (3-bromophenyl)methyl-(1-phenethylpiperidin-1-ium-4-yl)azanium Traditional Name: (3-bromobenzyl)-(1-phenethylpiperidin-1-ium-4-yl)ammonium Formula: C20H27BrN2+2 MolecularWeight: 375.34578

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1[NH2+]CC2=CC(=CC=C2)Br)CCC3=CC=CC=C3

Isomeric SMILES

C1C[NH+](CCC1[NH2+]CC2=CC(=CC=C2)Br)CCC3=CC=CC=C3

InChI

InChI=1S/C20H25BrN2/c21-19-8-4-7-18(15-19)16-22-20-10-13-23(14-11-20)12-9-17-5-2-1-3-6-17/h1-8,15,20,22H,9-14,16H2/p+2