methyl 2-methyl-5-[(E)-3-oxidanylidene-3-[4-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)piperazin-4-ium-1-yl]prop-1-enyl]furan-3-carboxylate

Systemtic Name: methyl 2-methyl-5-[(E)-3-oxidanylidene-3-[4-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)piperazin-4-ium-1-yl]prop-1-enyl]furan-3-carboxylate Openeye Name: methyl 2-methyl-5-[(E)-3-oxo-3-[4-(2-oxo-2-pyrrolidin-1-yl-ethyl)piperazin-4-ium-1-yl]prop-1-enyl]furan-3-carboxylate CAS Name: 2-methyl-5-[(E)-3-oxo-3-[4-[2-oxo-2-(1-pyrrolidinyl)ethyl]-1-piperazin-4-iumyl]prop-1-enyl]-3-furancarboxylic acid methyl ester IUPAC Name: methyl 2-methyl-5-[(E)-3-oxo-3-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-4-ium-1-yl]prop-1-enyl]furan-3-carboxylate Traditional Name: 5-[(E)-3-keto-3-[4-(2-keto-2-pyrrolidino-ethyl)piperazin-4-ium-1-yl]prop-1-enyl]-2-methyl-furan-3-carboxylic acid methyl ester Formula: C20H28N3O5+ MolecularWeight: 390.45342

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(O1)C=CC(=O)N2CC[NH+](CC2)CC(=O)N3CCCC3)C(=O)OC

Isomeric SMILES

CC1=C(C=C(O1)/C=C/C(=O)N2CC[NH+](CC2)CC(=O)N3CCCC3)C(=O)OC

InChI

InChI=1S/C20H27N3O5/c1-15-17(20(26)27-2)13-16(28-15)5-6-18(24)23-11-9-21(10-12-23)14-19(25)22-7-3-4-8-22/h5-6,13H,3-4,7-12,14H2,1-2H3/p+1/b6-5+