ethyl 3-azanyl-4-(4-ethylpiperazin-4-ium-1-yl)benzoate

Systemtic Name: ethyl 3-azanyl-4-(4-ethylpiperazin-4-ium-1-yl)benzoate Openeye Name: ethyl 3-amino-4-(4-ethylpiperazin-4-ium-1-yl)benzoate CAS Name: 3-amino-4-(4-ethyl-1-piperazin-4-iumyl)benzoic acid ethyl ester IUPAC Name: ethyl 3-amino-4-(4-ethylpiperazin-4-ium-1-yl)benzoate Traditional Name: 3-amino-4-(4-ethylpiperazin-4-ium-1-yl)benzoic acid ethyl ester Formula: C15H24N3O2+ MolecularWeight: 278.36996

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C2=C(C=C(C=C2)C(=O)OCC)N

Isomeric SMILES

CC[NH+]1CCN(CC1)C2=C(C=C(C=C2)C(=O)OCC)N

InChI

InChI=1S/C15H23N3O2/c1-3-17-7-9-18(10-8-17)14-6-5-12(11-13(14)16)15(19)20-4-2/h5-6,11H,3-4,7-10,16H2,1-2H3/p+1