(4-methoxycarbonyl-2-methyl-phenyl)-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxidanylidene-ethyl]azanium

Systemtic Name: (4-methoxycarbonyl-2-methyl-phenyl)-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxidanylidene-ethyl]azanium Openeye Name: (4-methoxycarbonyl-2-methyl-phenyl)-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxo-ethyl]ammonium CAS Name: (4-methoxycarbonyl-2-methylphenyl)-[2-[4-(4-methoxyphenyl)-1-piperazinyl]-2-oxoethyl]ammonium IUPAC Name: (4-methoxycarbonyl-2-methylphenyl)-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]azanium Traditional Name: (4-carbomethoxy-2-methyl-phenyl)-[2-keto-2-[4-(4-methoxyphenyl)piperazino]ethyl]ammonium Formula: C22H28N3O4+ MolecularWeight: 398.47542

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)OC)[NH2+]CC(=O)N2CCN(CC2)C3=CC=C(C=C3)OC

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)OC)[NH2+]CC(=O)N2CCN(CC2)C3=CC=C(C=C3)OC

InChI

InChI=1S/C22H27N3O4/c1-16-14-17(22(27)29-3)4-9-20(16)23-15-21(26)25-12-10-24(11-13-25)18-5-7-19(28-2)8-6-18/h4-9,14,23H,10-13,15H2,1-3H3/p+1