methyl 2-azanyl-5-(4-propan-2-ylpiperazin-1-yl)benzoate hydrochloride

Systemtic Name: methyl 2-azanyl-5-(4-propan-2-ylpiperazin-1-yl)benzoate hydrochloride Openeye Name: methyl 2-amino-5-(4-isopropylpiperazin-1-yl)benzoate hydrochloride CAS Name: 2-amino-5-(4-propan-2-yl-1-piperazinyl)benzoic acid methyl ester hydrochloride IUPAC Name: methyl 2-amino-5-(4-propan-2-ylpiperazin-1-yl)benzoate hydrochloride Traditional Name: 2-amino-5-(4-isopropylpiperazino)benzoic acid methyl ester hydrochloride Formula: C15H24ClN3O2 MolecularWeight: 313.82296

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1CCN(CC1)C2=CC(=C(C=C2)N)C(=O)OC.Cl

Isomeric SMILES

CC(C)N1CCN(CC1)C2=CC(=C(C=C2)N)C(=O)OC.Cl

InChI

InChI=1S/C15H23N3O2.ClH/c1-11(2)17-6-8-18(9-7-17)12-4-5-14(16)13(10-12)15(19)20-3;/h4-5,10-11H,6-9,16H2,1-3H3;1H