[4-[(1-methylimidazol-2-yl)methyl]piperazin-4-ium-1-yl]-(2-oxidanylidene-1-phenyl-pyrrolidin-3-ylidene)methanolate

Systemtic Name: [4-[(1-methylimidazol-2-yl)methyl]piperazin-4-ium-1-yl]-(2-oxidanylidene-1-phenyl-pyrrolidin-3-ylidene)methanolate Openeye Name: [4-[(1-methylimidazol-2-yl)methyl]piperazin-4-ium-1-yl]-(2-oxo-1-phenyl-pyrrolidin-3-ylidene)methanolate CAS Name: [4-[(1-methyl-2-imidazolyl)methyl]-1-piperazin-4-iumyl]-(2-oxo-1-phenyl-3-pyrrolidinylidene)methanolate IUPAC Name: [4-[(1-methylimidazol-2-yl)methyl]piperazin-4-ium-1-yl]-(2-oxo-1-phenylpyrrolidin-3-ylidene)methanolate Traditional Name: (2-keto-1-phenyl-pyrrolidin-3-ylidene)-[4-[(1-methylimidazol-2-yl)methyl]piperazin-4-ium-1-yl]methanolate Formula: C20H25N5O2 MolecularWeight: 367.4448

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CN=C1C[NH+]2CCN(CC2)C(=C3CCN(C3=O)C4=CC=CC=C4)[O-]

Isomeric SMILES

CN1C=CN=C1C[NH+]2CCN(CC2)C(=C3CCN(C3=O)C4=CC=CC=C4)[O-]

InChI

InChI=1S/C20H25N5O2/c1-22-10-8-21-18(22)15-23-11-13-24(14-12-23)19(26)17-7-9-25(20(17)27)16-5-3-2-4-6-16/h2-6,8,10,26H,7,9,11-15H2,1H3