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

Systemtic Name: [4-(cyclobutylmethyl)piperazin-4-ium-1-yl]-(2-oxidanylidene-1-phenyl-pyrrolidin-3-ylidene)methanolate Openeye Name: [4-(cyclobutylmethyl)piperazin-4-ium-1-yl]-(2-oxo-1-phenyl-pyrrolidin-3-ylidene)methanolate CAS Name: [4-(cyclobutylmethyl)-1-piperazin-4-iumyl]-(2-oxo-1-phenyl-3-pyrrolidinylidene)methanolate IUPAC Name: [4-(cyclobutylmethyl)piperazin-4-ium-1-yl]-(2-oxo-1-phenylpyrrolidin-3-ylidene)methanolate Traditional Name: [4-(cyclobutylmethyl)piperazin-4-ium-1-yl]-(2-keto-1-phenyl-pyrrolidin-3-ylidene)methanolate Formula: C20H27N3O2 MolecularWeight: 341.44728

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(C1)C[NH+]2CCN(CC2)C(=C3CCN(C3=O)C4=CC=CC=C4)[O-]

Isomeric SMILES

C1CC(C1)C[NH+]2CCN(CC2)C(=C3CCN(C3=O)C4=CC=CC=C4)[O-]

InChI

InChI=1S/C20H27N3O2/c24-19(22-13-11-21(12-14-22)15-16-5-4-6-16)18-9-10-23(20(18)25)17-7-2-1-3-8-17/h1-3,7-8,16,24H,4-6,9-15H2