methyl 4-(4-methylpiperazin-4-ium-1-yl)-3-[(1-phenylcyclopentyl)carbonylamino]benzoate

Systemtic Name: methyl 4-(4-methylpiperazin-4-ium-1-yl)-3-[(1-phenylcyclopentyl)carbonylamino]benzoate Openeye Name: methyl 4-(4-methylpiperazin-4-ium-1-yl)-3-[(1-phenylcyclopentanecarbonyl)amino]benzoate CAS Name: 4-(4-methyl-1-piperazin-4-iumyl)-3-[[oxo-(1-phenylcyclopentyl)methyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-(4-methylpiperazin-4-ium-1-yl)-3-[(1-phenylcyclopentanecarbonyl)amino]benzoate Traditional Name: 4-(4-methylpiperazin-4-ium-1-yl)-3-[(1-phenylcyclopentanecarbonyl)amino]benzoic acid methyl ester Formula: C25H32N3O3+ MolecularWeight: 422.53988

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C2=C(C=C(C=C2)C(=O)OC)NC(=O)C3(CCCC3)C4=CC=CC=C4

Isomeric SMILES

C[NH+]1CCN(CC1)C2=C(C=C(C=C2)C(=O)OC)NC(=O)C3(CCCC3)C4=CC=CC=C4

InChI

InChI=1S/C25H31N3O3/c1-27-14-16-28(17-15-27)22-11-10-19(23(29)31-2)18-21(22)26-24(30)25(12-6-7-13-25)20-8-4-3-5-9-20/h3-5,8-11,18H,6-7,12-17H2,1-2H3,(H,26,30)/p+1