methyl 4-[4-[(4-cyclopentyl-3-oxidanylidene-piperazin-1-ium-1-yl)methyl]-5-methyl-1,3-oxazol-2-yl]benzoate

Systemtic Name: methyl 4-[4-[(4-cyclopentyl-3-oxidanylidene-piperazin-1-ium-1-yl)methyl]-5-methyl-1,3-oxazol-2-yl]benzoate Openeye Name: methyl 4-[4-[(4-cyclopentyl-3-oxo-piperazin-1-ium-1-yl)methyl]-5-methyl-oxazol-2-yl]benzoate CAS Name: 4-[4-[(4-cyclopentyl-3-oxo-1-piperazin-1-iumyl)methyl]-5-methyl-2-oxazolyl]benzoic acid methyl ester IUPAC Name: methyl 4-[4-[(4-cyclopentyl-3-oxopiperazin-1-ium-1-yl)methyl]-5-methyl-1,3-oxazol-2-yl]benzoate Traditional Name: 4-[4-[(4-cyclopentyl-3-keto-piperazin-1-ium-1-yl)methyl]-5-methyl-oxazol-2-yl]benzoic acid methyl ester Formula: C22H28N3O4+ MolecularWeight: 398.47542

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C(O1)C2=CC=C(C=C2)C(=O)OC)C[NH+]3CCN(C(=O)C3)C4CCCC4

Isomeric SMILES

CC1=C(N=C(O1)C2=CC=C(C=C2)C(=O)OC)C[NH+]3CCN(C(=O)C3)C4CCCC4

InChI

InChI=1S/C22H27N3O4/c1-15-19(13-24-11-12-25(20(26)14-24)18-5-3-4-6-18)23-21(29-15)16-7-9-17(10-8-16)22(27)28-2/h7-10,18H,3-6,11-14H2,1-2H3/p+1