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

Systemtic Name: 4-methyl-N,N-bis(phenylmethyl)-1-(5,6,7,8-tetrahydronaphthalen-1-yl)piperazin-1-ium-1-amine Openeye Name: N,N-dibenzyl-4-methyl-1-tetralin-5-yl-piperazin-1-ium-1-amine CAS Name: 4-methyl-N,N-bis(phenylmethyl)-1-(5,6,7,8-tetrahydronaphthalen-1-yl)-1-piperazin-1-iumamine IUPAC Name: N,N-dibenzyl-4-methyl-1-(5,6,7,8-tetrahydronaphthalen-1-yl)piperazin-1-ium-1-amine Traditional Name: dibenzyl-(4-methyl-1-tetralin-5-yl-piperazin-1-ium-1-yl)amine Formula: C29H36N3+ MolecularWeight: 426.61624

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Descriptors Computed from Structure

Canonical SMILES:

CN1CC[N+](CC1)(C2=CC=CC3=C2CCCC3)N(CC4=CC=CC=C4)CC5=CC=CC=C5

Isomeric SMILES

CN1CC[N+](CC1)(C2=CC=CC3=C2CCCC3)N(CC4=CC=CC=C4)CC5=CC=CC=C5

InChI

InChI=1S/C29H36N3/c1-30-19-21-32(22-20-30,29-18-10-16-27-15-8-9-17-28(27)29)31(23-25-11-4-2-5-12-25)24-26-13-6-3-7-14-26/h2-7,10-14,16,18H,8-9,15,17,19-24H2,1H3/q+1