methyl 4-[(E)-3-[4-(2-morpholin-4-yl-2-oxidanylidene-ethyl)piperazin-4-ium-1-yl]-3-oxidanylidene-prop-1-enyl]benzoate

Systemtic Name: methyl 4-[(E)-3-[4-(2-morpholin-4-yl-2-oxidanylidene-ethyl)piperazin-4-ium-1-yl]-3-oxidanylidene-prop-1-enyl]benzoate Openeye Name: methyl 4-[(E)-3-[4-(2-morpholino-2-oxo-ethyl)piperazin-4-ium-1-yl]-3-oxo-prop-1-enyl]benzoate CAS Name: 4-[(E)-3-[4-[2-(4-morpholinyl)-2-oxoethyl]-1-piperazin-4-iumyl]-3-oxoprop-1-enyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(E)-3-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-4-ium-1-yl]-3-oxoprop-1-enyl]benzoate Traditional Name: 4-[(E)-3-keto-3-[4-(2-keto-2-morpholino-ethyl)piperazin-4-ium-1-yl]prop-1-enyl]benzoic acid methyl ester Formula: C21H28N3O5+ MolecularWeight: 402.46412

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)C=CC(=O)N2CC[NH+](CC2)CC(=O)N3CCOCC3

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)/C=C/C(=O)N2CC[NH+](CC2)CC(=O)N3CCOCC3

InChI

InChI=1S/C21H27N3O5/c1-28-21(27)18-5-2-17(3-6-18)4-7-19(25)23-10-8-22(9-11-23)16-20(26)24-12-14-29-15-13-24/h2-7H,8-16H2,1H3/p+1/b7-4+