4-[(E)-(4-methylpiperazin-1-yl)iminomethyl]benzoic acid hydrochloride

Systemtic Name: 4-[(E)-(4-methylpiperazin-1-yl)iminomethyl]benzoic acid hydrochloride Openeye Name: 4-[(E)-(4-methylpiperazin-1-yl)iminomethyl]benzoic acid hydrochloride CAS Name: 4-[(E)-(4-methyl-1-piperazinyl)iminomethyl]benzoic acid hydrochloride IUPAC Name: 4-[(E)-(4-methylpiperazin-1-yl)iminomethyl]benzoic acid hydrochloride Traditional Name: 4-[(E)-(4-methylpiperazino)iminomethyl]benzoic acid hydrochloride Formula: C13H18ClN3O2 MolecularWeight: 283.75392

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)N=CC2=CC=C(C=C2)C(=O)O.Cl

Isomeric SMILES

CN1CCN(CC1)/N=C/C2=CC=C(C=C2)C(=O)O.Cl

InChI

InChI=1S/C13H17N3O2.ClH/c1-15-6-8-16(9-7-15)14-10-11-2-4-12(5-3-11)13(17)18;/h2-5,10H,6-9H2,1H3,(H,17,18);1H/b14-10+;