ethyl 4-(3-piperazin-4-ium-1-ylpropanoylamino)benzoate

Systemtic Name: ethyl 4-(3-piperazin-4-ium-1-ylpropanoylamino)benzoate Openeye Name: ethyl 4-(3-piperazin-4-ium-1-ylpropanoylamino)benzoate CAS Name: 4-[[1-oxo-3-(1-piperazin-4-iumyl)propyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-(3-piperazin-4-ium-1-ylpropanoylamino)benzoate Traditional Name: 4-(3-piperazin-4-ium-1-ylpropanoylamino)benzoic acid ethyl ester Formula: C16H24N3O3+ MolecularWeight: 306.38006

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=O)CCN2CC[NH2+]CC2

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=O)CCN2CC[NH2+]CC2

InChI

InChI=1S/C16H23N3O3/c1-2-22-16(21)13-3-5-14(6-4-13)18-15(20)7-10-19-11-8-17-9-12-19/h3-6,17H,2,7-12H2,1H3,(H,18,20)/p+1