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

Systemtic Name: 1-(4-bromanyl-5,6,7,8-tetrahydronaphthalen-1-yl)-4-methyl-N,N-bis(phenylmethyl)piperazin-1-ium-1-amine Openeye Name: N,N-dibenzyl-1-(8-bromotetralin-5-yl)-4-methyl-piperazin-1-ium-1-amine CAS Name: 1-(4-bromo-5,6,7,8-tetrahydronaphthalen-1-yl)-4-methyl-N,N-bis(phenylmethyl)-1-piperazin-1-iumamine IUPAC Name: N,N-dibenzyl-1-(4-bromo-5,6,7,8-tetrahydronaphthalen-1-yl)-4-methylpiperazin-1-ium-1-amine Traditional Name: dibenzyl-[1-(8-bromotetralin-5-yl)-4-methyl-piperazin-1-ium-1-yl]amine Formula: C29H35BrN3+ MolecularWeight: 505.5123

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Descriptors Computed from Structure

Canonical SMILES:

CN1CC[N+](CC1)(C2=C3CCCCC3=C(C=C2)Br)N(CC4=CC=CC=C4)CC5=CC=CC=C5

Isomeric SMILES

CN1CC[N+](CC1)(C2=C3CCCCC3=C(C=C2)Br)N(CC4=CC=CC=C4)CC5=CC=CC=C5

InChI

InChI=1S/C29H35BrN3/c1-31-18-20-33(21-19-31,29-17-16-28(30)26-14-8-9-15-27(26)29)32(22-24-10-4-2-5-11-24)23-25-12-6-3-7-13-25/h2-7,10-13,16-17H,8-9,14-15,18-23H2,1H3/q+1