methyl 4-[[[4-[4-cyclohexyl-4-(7-methoxyheptoxy)piperazin-4-ium-1-yl]phenyl]carbonylamino]carbamoyl]benzoate

Systemtic Name: methyl 4-[[[4-[4-cyclohexyl-4-(7-methoxyheptoxy)piperazin-4-ium-1-yl]phenyl]carbonylamino]carbamoyl]benzoate Openeye Name: methyl 4-[[[4-[4-cyclohexyl-4-(7-methoxyheptoxy)piperazin-4-ium-1-yl]benzoyl]amino]carbamoyl]benzoate CAS Name: 4-[[[[4-[4-cyclohexyl-4-(7-methoxyheptoxy)-1-piperazin-4-iumyl]phenyl]-oxomethyl]hydrazo]-oxomethyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[[4-[4-cyclohexyl-4-(7-methoxyheptoxy)piperazin-4-ium-1-yl]benzoyl]amino]carbamoyl]benzoate Traditional Name: 4-[[[4-[4-cyclohexyl-4-(7-methoxyheptoxy)piperazin-4-ium-1-yl]benzoyl]amino]carbamoyl]benzoic acid methyl ester Formula: C34H49N4O6+ MolecularWeight: 609.77606

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COCCCCCCCO[N+]1(CCN(CC1)C2=CC=C(C=C2)C(=O)NNC(=O)C3=CC=C(C=C3)C(=O)OC)C4CCCCC4

Isomeric SMILES

COCCCCCCCO[N+]1(CCN(CC1)C2=CC=C(C=C2)C(=O)NNC(=O)C3=CC=C(C=C3)C(=O)OC)C4CCCCC4

InChI

InChI=1S/C34H48N4O6/c1-42-25-9-4-3-5-10-26-44-38(31-11-7-6-8-12-31)23-21-37(22-24-38)30-19-17-28(18-20-30)33(40)36-35-32(39)27-13-15-29(16-14-27)34(41)43-2/h13-20,31H,3-12,21-26H2,1-2H3,(H-,35,36,39,40,41)/p+1