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

Systemtic Name: 2-(4-methylpiperazin-1-yl)ethyl N-(2-heptoxyphenyl)carbamate dihydrochloride Openeye Name: 2-(4-methylpiperazin-1-yl)ethyl N-(2-heptoxyphenyl)carbamate dihydrochloride CAS Name: N-(2-heptoxyphenyl)carbamic acid 2-(4-methyl-1-piperazinyl)ethyl ester dihydrochloride IUPAC Name: 2-(4-methylpiperazin-1-yl)ethyl N-(2-heptoxyphenyl)carbamate dihydrochloride Traditional Name: N-(2-heptoxyphenyl)carbamic acid 2-(4-methylpiperazino)ethyl ester dihydrochloride Formula: C21H37Cl2N3O3 MolecularWeight: 450.44278

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H35N3O3.2ClH/c1-3-4-5-6-9-17-26-20-11-8-7-10-19(20)22-21(25)27-18-16-24-14-12-23(2)13-15-24;;/h7-8,10-11H,3-6,9,12-18H2,1-2H3,(H,22,25);2*1H