methyl 3-[(4-tert-butylphenyl)carbonylamino]-4-(4-ethylpiperazin-4-ium-1-yl)benzoate

Systemtic Name: methyl 3-[(4-tert-butylphenyl)carbonylamino]-4-(4-ethylpiperazin-4-ium-1-yl)benzoate Openeye Name: methyl 3-[(4-tert-butylbenzoyl)amino]-4-(4-ethylpiperazin-4-ium-1-yl)benzoate CAS Name: 3-[[(4-tert-butylphenyl)-oxomethyl]amino]-4-(4-ethyl-1-piperazin-4-iumyl)benzoic acid methyl ester IUPAC Name: methyl 3-[(4-tert-butylbenzoyl)amino]-4-(4-ethylpiperazin-4-ium-1-yl)benzoate Traditional Name: 3-[(4-tert-butylbenzoyl)amino]-4-(4-ethylpiperazin-4-ium-1-yl)benzoic acid methyl ester Formula: C25H34N3O3+ MolecularWeight: 424.55576

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H33N3O3/c1-6-27-13-15-28(16-14-27)22-12-9-19(24(30)31-5)17-21(22)26-23(29)18-7-10-20(11-8-18)25(2,3)4/h7-12,17H,6,13-16H2,1-5H3,(H,26,29)/p+1