N,N'-bis[2-(4-methoxynaphthalen-1-yl)ethyl]butane-1,4-diamine; methanesulfonic acid

Systemtic Name: N,N'-bis[2-(4-methoxynaphthalen-1-yl)ethyl]butane-1,4-diamine; methanesulfonic acid Openeye Name: N,N'-bis[2-(4-methoxy-1-naphthyl)ethyl]butane-1,4-diamine; methanesulfonic acid CAS Name: N,N'-bis[2-(4-methoxy-1-naphthalenyl)ethyl]butane-1,4-diamine; methanesulfonic acid IUPAC Name: N,N'-bis[2-(4-methoxynaphthalen-1-yl)ethyl]butane-1,4-diamine; methanesulfonic acid Traditional Name: mesylic acid; 2-(4-methoxy-1-naphthyl)ethyl-[4-[2-(4-methoxy-1-naphthyl)ethylamino]butyl]amine Formula: C31H40N2O5S MolecularWeight: 552.7247

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C2=CC=CC=C21)CCNCCCCNCCC3=CC=C(C4=CC=CC=C34)OC.CS(=O)(=O)O

Isomeric SMILES

COC1=CC=C(C2=CC=CC=C21)CCNCCCCNCCC3=CC=C(C4=CC=CC=C34)OC.CS(=O)(=O)O

InChI

InChI=1S/C30H36N2O2.CH4O3S/c1-33-29-15-13-23(25-9-3-5-11-27(25)29)17-21-31-19-7-8-20-32-22-18-24-14-16-30(34-2)28-12-6-4-10-26(24)28;1-5(2,3)4/h3-6,9-16,31-32H,7-8,17-22H2,1-2H3;1H3,(H,2,3,4)