(3Z)-3,5-bis[(1-cyclopropyl-2,5-dimethyl-pyrrol-3-yl)methylidene]-1-ethyl-piperidin-1-ium-4-one

Systemtic Name: (3Z)-3,5-bis[(1-cyclopropyl-2,5-dimethyl-pyrrol-3-yl)methylidene]-1-ethyl-piperidin-1-ium-4-one Openeye Name: (3Z)-3,5-bis[(1-cyclopropyl-2,5-dimethyl-pyrrol-3-yl)methylene]-1-ethyl-piperidin-1-ium-4-one CAS Name: (3Z)-3,5-bis[(1-cyclopropyl-2,5-dimethyl-3-pyrrolyl)methylidene]-1-ethyl-4-piperidin-1-iumone IUPAC Name: (3Z)-3,5-bis[(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)methylidene]-1-ethylpiperidin-1-ium-4-one Traditional Name: (3Z)-3,5-bis[(1-cyclopropyl-2,5-dimethyl-pyrrol-3-yl)methylene]-1-ethyl-piperidin-1-ium-4-one Formula: C27H36N3O+ MolecularWeight: 418.59424

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CC(=CC2=C(N(C(=C2)C)C3CC3)C)C(=O)C(=CC4=C(N(C(=C4)C)C5CC5)C)C1

Isomeric SMILES

CC[NH+]1CC(=CC2=C(N(C(=C2)C)C3CC3)C)C(=O)/C(=C\C4=C(N(C(=C4)C)C5CC5)C)/C1

InChI

InChI=1S/C27H35N3O/c1-6-28-15-23(13-21-11-17(2)29(19(21)4)25-7-8-25)27(31)24(16-28)14-22-12-18(3)30(20(22)5)26-9-10-26/h11-14,25-26H,6-10,15-16H2,1-5H3/p+1/b23-13-,24-14?