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

Systemtic Name: (3Z,5Z)-3,5-bis[(2,5-dimethyl-1-phenyl-pyrrol-3-yl)methylidene]-1-methyl-piperidin-1-ium-4-one Openeye Name: (3Z,5Z)-3,5-bis[(2,5-dimethyl-1-phenyl-pyrrol-3-yl)methylene]-1-methyl-piperidin-1-ium-4-one CAS Name: (3Z,5Z)-3,5-bis[(2,5-dimethyl-1-phenyl-3-pyrrolyl)methylidene]-1-methyl-4-piperidin-1-iumone IUPAC Name: (3Z,5Z)-3,5-bis[(2,5-dimethyl-1-phenylpyrrol-3-yl)methylidene]-1-methylpiperidin-1-ium-4-one Traditional Name: (3Z,5Z)-3,5-bis[(2,5-dimethyl-1-phenyl-pyrrol-3-yl)methylene]-1-methyl-piperidin-1-ium-4-one Formula: C32H34N3O+ MolecularWeight: 476.63186

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=CC=CC=C2)C)C=C3C[NH+](CC(=CC4=C(N(C(=C4)C)C5=CC=CC=C5)C)C3=O)C

Isomeric SMILES

CC1=CC(=C(N1C2=CC=CC=C2)C)/C=C/3\C(=O)/C(=C\C4=C(N(C(=C4)C)C5=CC=CC=C5)C)/C[NH+](C3)C

InChI

InChI=1S/C32H33N3O/c1-22-16-26(24(3)34(22)30-12-8-6-9-13-30)18-28-20-33(5)21-29(32(28)36)19-27-17-23(2)35(25(27)4)31-14-10-7-11-15-31/h6-19H,20-21H2,1-5H3/p+1/b28-18-,29-19-