1-(4-bromanyl-5,6,7,8-tetrahydronaphthalen-1-yl)-N,N,4-tris(phenylmethyl)piperazin-1-ium-1-amine

Systemtic Name: 1-(4-bromanyl-5,6,7,8-tetrahydronaphthalen-1-yl)-N,N,4-tris(phenylmethyl)piperazin-1-ium-1-amine Openeye Name: N,N,4-tribenzyl-1-(8-bromotetralin-5-yl)piperazin-1-ium-1-amine CAS Name: 1-(4-bromo-5,6,7,8-tetrahydronaphthalen-1-yl)-N,N,4-tris(phenylmethyl)-1-piperazin-1-iumamine IUPAC Name: N,N,4-tribenzyl-1-(4-bromo-5,6,7,8-tetrahydronaphthalen-1-yl)piperazin-1-ium-1-amine Traditional Name: dibenzyl-[4-benzyl-1-(8-bromotetralin-5-yl)piperazin-1-ium-1-yl]amine Formula: C35H39BrN3+ MolecularWeight: 581.60826

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C=CC(=C2C1)[N+]3(CCN(CC3)CC4=CC=CC=C4)N(CC5=CC=CC=C5)CC6=CC=CC=C6)Br

Isomeric SMILES

C1CCC2=C(C=CC(=C2C1)[N+]3(CCN(CC3)CC4=CC=CC=C4)N(CC5=CC=CC=C5)CC6=CC=CC=C6)Br

InChI

InChI=1S/C35H39BrN3/c36-34-20-21-35(33-19-11-10-18-32(33)34)39(24-22-37(23-25-39)26-29-12-4-1-5-13-29)38(27-30-14-6-2-7-15-30)28-31-16-8-3-9-17-31/h1-9,12-17,20-21H,10-11,18-19,22-28H2/q+1