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

Systemtic Name: (3Z,5Z)-1-methyl-3,5-bis[(5-methylthiophen-2-yl)methylidene]piperidin-1-ium-4-one Openeye Name: (3Z,5Z)-1-methyl-3,5-bis[(5-methyl-2-thienyl)methylene]piperidin-1-ium-4-one CAS Name: (3Z,5Z)-1-methyl-3,5-bis[(5-methyl-2-thiophenyl)methylidene]-4-piperidin-1-iumone IUPAC Name: (3Z,5Z)-1-methyl-3,5-bis[(5-methylthiophen-2-yl)methylidene]piperidin-1-ium-4-one Traditional Name: (3Z,5Z)-1-methyl-3,5-bis[(5-methyl-2-thienyl)methylene]piperidin-1-ium-4-one Formula: C18H20NOS2+ MolecularWeight: 330.4875

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(S1)C=C2C[NH+](CC(=CC3=CC=C(S3)C)C2=O)C

Isomeric SMILES

CC1=CC=C(S1)/C=C/2\C(=O)/C(=C\C3=CC=C(S3)C)/C[NH+](C2)C

InChI

InChI=1S/C18H19NOS2/c1-12-4-6-16(21-12)8-14-10-19(3)11-15(18(14)20)9-17-7-5-13(2)22-17/h4-9H,10-11H2,1-3H3/p+1/b14-8-,15-9-