bis[2-[2-(naphthalen-1-ylmethylazaniumyl)ethylazaniumyl]ethyl]azanium pentachloride

Systemtic Name: bis[2-[2-(naphthalen-1-ylmethylazaniumyl)ethylazaniumyl]ethyl]azanium pentachloride Openeye Name: bis[2-[2-(1-naphthylmethylammonio)ethylammonio]ethyl]ammonium pentachloride CAS Name: bis[2-[2-(1-naphthalenylmethylammonio)ethylammonio]ethyl]ammonium pentachloride IUPAC Name: bis[2-[2-(naphthalen-1-ylmethylazaniumyl)ethylazaniumyl]ethyl]azanium pentachloride Traditional Name: bis[2-[2-(1-naphthylmethylammonio)ethylammonio]ethyl]ammonium pentachloride Formula: C30H44Cl5N5 MolecularWeight: 651.96886

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC=C2C[NH2+]CC[NH2+]CC[NH2+]CC[NH2+]CC[NH2+]CC3=CC=CC4=CC=CC=C43.[Cl-].[Cl-].[Cl-].[Cl-].[Cl-]

Isomeric SMILES

C1=CC=C2C(=C1)C=CC=C2C[NH2+]CC[NH2+]CC[NH2+]CC[NH2+]CC[NH2+]CC3=CC=CC4=CC=CC=C43.[Cl-].[Cl-].[Cl-].[Cl-].[Cl-]

InChI

InChI=1S/C30H39N5.5ClH/c1-3-13-29-25(7-1)9-5-11-27(29)23-34-21-19-32-17-15-31-16-18-33-20-22-35-24-28-12-6-10-26-8-2-4-14-30(26)28;;;;;/h1-14,31-35H,15-24H2;5*1H