4-[5-[4-(aminomethyl)phenoxy]pentoxy]aniline; methanesulfonic acid

Systemtic Name: 4-[5-[4-(aminomethyl)phenoxy]pentoxy]aniline; methanesulfonic acid Openeye Name: 4-[5-[4-(aminomethyl)phenoxy]pentoxy]aniline; methanesulfonic acid CAS Name: 4-[5-[4-(aminomethyl)phenoxy]pentoxy]aniline; methanesulfonic acid IUPAC Name: 4-[5-[4-(aminomethyl)phenoxy]pentoxy]aniline; methanesulfonic acid Traditional Name: [4-[5-[4-(aminomethyl)phenoxy]pentoxy]phenyl]amine; mesylic acid Formula: C19H28N2O5S MolecularWeight: 396.50102

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)O.C1=CC(=CC=C1CN)OCCCCCOC2=CC=C(C=C2)N

Isomeric SMILES

CS(=O)(=O)O.C1=CC(=CC=C1CN)OCCCCCOC2=CC=C(C=C2)N

InChI

InChI=1S/C18H24N2O2.CH4O3S/c19-14-15-4-8-17(9-5-15)21-12-2-1-3-13-22-18-10-6-16(20)7-11-18;1-5(2,3)4/h4-11H,1-3,12-14,19-20H2;1H3,(H,2,3,4)