2-(4-butan-2-ylpiperazin-1-yl)ethyl N-(2-heptoxyphenyl)carbamate dihydrochloride

Systemtic Name: 2-(4-butan-2-ylpiperazin-1-yl)ethyl N-(2-heptoxyphenyl)carbamate dihydrochloride Openeye Name: 2-(4-sec-butylpiperazin-1-yl)ethyl N-(2-heptoxyphenyl)carbamate dihydrochloride CAS Name: N-(2-heptoxyphenyl)carbamic acid 2-(4-butan-2-yl-1-piperazinyl)ethyl ester dihydrochloride IUPAC Name: 2-(4-butan-2-ylpiperazin-1-yl)ethyl N-(2-heptoxyphenyl)carbamate dihydrochloride Traditional Name: N-(2-heptoxyphenyl)carbamic acid 2-(4-sec-butylpiperazino)ethyl ester dihydrochloride Formula: C24H43Cl2N3O3 MolecularWeight: 492.52252

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC1=CC=CC=C1NC(=O)OCCN2CCN(CC2)C(C)CC.Cl.Cl

Isomeric SMILES

CCCCCCCOC1=CC=CC=C1NC(=O)OCCN2CCN(CC2)C(C)CC.Cl.Cl

InChI

InChI=1S/C24H41N3O3.2ClH/c1-4-6-7-8-11-19-29-23-13-10-9-12-22(23)25-24(28)30-20-18-26-14-16-27(17-15-26)21(3)5-2;;/h9-10,12-13,21H,4-8,11,14-20H2,1-3H3,(H,25,28);2*1H