N,N'-bis[2-(3-methoxynaphthalen-2-yl)ethyl]butane-1,4-diamine; methanesulfonic acid

Systemtic Name: N,N'-bis[2-(3-methoxynaphthalen-2-yl)ethyl]butane-1,4-diamine; methanesulfonic acid Openeye Name: N,N'-bis[2-(3-methoxy-2-naphthyl)ethyl]butane-1,4-diamine; methanesulfonic acid CAS Name: N,N'-bis[2-(3-methoxy-2-naphthalenyl)ethyl]butane-1,4-diamine; methanesulfonic acid IUPAC Name: N,N'-bis[2-(3-methoxynaphthalen-2-yl)ethyl]butane-1,4-diamine; methanesulfonic acid Traditional Name: mesylic acid; 2-(3-methoxy-2-naphthyl)ethyl-[4-[2-(3-methoxy-2-naphthyl)ethylamino]butyl]amine Formula: C31H40N2O5S MolecularWeight: 552.7247

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=CC=CC=C2C=C1CCNCCCCNCCC3=CC4=CC=CC=C4C=C3OC.CS(=O)(=O)O

Isomeric SMILES

COC1=CC2=CC=CC=C2C=C1CCNCCCCNCCC3=CC4=CC=CC=C4C=C3OC.CS(=O)(=O)O

InChI

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