1,4-diethyl-1,4-bis(naphthalen-1-ylmethyl)piperazine-1,4-diium dichloride

Systemtic Name: 1,4-diethyl-1,4-bis(naphthalen-1-ylmethyl)piperazine-1,4-diium dichloride Openeye Name: 1,4-diethyl-1,4-bis(1-naphthylmethyl)piperazine-1,4-diium dichloride CAS Name: 1,4-diethyl-1,4-bis(1-naphthalenylmethyl)piperazine-1,4-diium dichloride IUPAC Name: 1,4-diethyl-1,4-bis(naphthalen-1-ylmethyl)piperazine-1,4-diium dichloride Traditional Name: 1,4-diethyl-1,4-bis(1-naphthylmethyl)piperazine-1,4-diium dichloride Formula: C60H72Cl2N4+2 MolecularWeight: 920.14648

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1(CC[N+](CC1)(CC)CC2=CC=CC3=CC=CC=C32)CC4=CC=CC5=CC=CC=C54.CC[N+]1(CC[N+](CC1)(CC)CC2=CC=CC3=CC=CC=C32)CC4=CC=CC5=CC=CC=C54.[Cl-].[Cl-]

Isomeric SMILES

CC[N+]1(CC[N+](CC1)(CC)CC2=CC=CC3=CC=CC=C32)CC4=CC=CC5=CC=CC=C54.CC[N+]1(CC[N+](CC1)(CC)CC2=CC=CC3=CC=CC=C32)CC4=CC=CC5=CC=CC=C54.[Cl-].[Cl-]

InChI

InChI=1S/2C30H36N2.2ClH/c2*1-3-31(23-27-15-9-13-25-11-5-7-17-29(25)27)19-21-32(4-2,22-20-31)24-28-16-10-14-26-12-6-8-18-30(26)28;;/h2*5-18H,3-4,19-24H2,1-2H3;2*1H/q2*+2;;/p-2