N,N-bis(2-chloroethyl)-4-methoxy-4-methyl-hex-2-yn-1-amine

Systemtic Name: N,N-bis(2-chloroethyl)-4-methoxy-4-methyl-hex-2-yn-1-amine Openeye Name: N,N-bis(2-chloroethyl)-4-methoxy-4-methyl-hex-2-yn-1-amine CAS Name: N,N-bis(2-chloroethyl)-4-methoxy-4-methyl-2-hexyn-1-amine IUPAC Name: N,N-bis(2-chloroethyl)-4-methoxy-4-methylhex-2-yn-1-amine Traditional Name: bis(2-chloroethyl)-(4-methoxy-4-methyl-hex-2-ynyl)amine Formula: C12H21Cl2NO MolecularWeight: 266.20724

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C#CCN(CCCl)CCCl)OC

Isomeric SMILES

CCC(C)(C#CCN(CCCl)CCCl)OC

InChI

InChI=1S/C12H21Cl2NO/c1-4-12(2,16-3)6-5-9-15(10-7-13)11-8-14/h4,7-11H2,1-3H3