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

Systemtic Name: methyl 4-[4-[(4-cyclohexyl-3-oxidanylidene-piperazin-1-ium-1-yl)methyl]-5-methyl-1,3-oxazol-2-yl]benzoate Openeye Name: methyl 4-[4-[(4-cyclohexyl-3-oxo-piperazin-1-ium-1-yl)methyl]-5-methyl-oxazol-2-yl]benzoate CAS Name: 4-[4-[(4-cyclohexyl-3-oxo-1-piperazin-1-iumyl)methyl]-5-methyl-2-oxazolyl]benzoic acid methyl ester IUPAC Name: methyl 4-[4-[(4-cyclohexyl-3-oxopiperazin-1-ium-1-yl)methyl]-5-methyl-1,3-oxazol-2-yl]benzoate Traditional Name: 4-[4-[(4-cyclohexyl-3-keto-piperazin-1-ium-1-yl)methyl]-5-methyl-oxazol-2-yl]benzoic acid methyl ester Formula: C23H30N3O4+ MolecularWeight: 412.502

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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)C4CCCCC4

Isomeric SMILES

CC1=C(N=C(O1)C2=CC=C(C=C2)C(=O)OC)C[NH+]3CCN(C(=O)C3)C4CCCCC4

InChI

InChI=1S/C23H29N3O4/c1-16-20(24-22(30-16)17-8-10-18(11-9-17)23(28)29-2)14-25-12-13-26(21(27)15-25)19-6-4-3-5-7-19/h8-11,19H,3-7,12-15H2,1-2H3/p+1