6-[[[(2R)-2-(4-methylpiperazine-1,4-diium-1-yl)-2-thiophen-2-yl-ethyl]amino]methylidene]cyclohexa-2,4-dien-1-one

Systemtic Name: 6-[[[(2R)-2-(4-methylpiperazine-1,4-diium-1-yl)-2-thiophen-2-yl-ethyl]amino]methylidene]cyclohexa-2,4-dien-1-one Openeye Name: 6-[[[(2R)-2-(4-methylpiperazine-1,4-diium-1-yl)-2-(2-thienyl)ethyl]amino]methylene]cyclohexa-2,4-dien-1-one CAS Name: 6-[[[(2R)-2-(4-methyl-1-piperazine-1,4-diiumyl)-2-thiophen-2-ylethyl]amino]methylidene]-1-cyclohexa-2,4-dienone IUPAC Name: 6-[[[(2R)-2-(4-methylpiperazine-1,4-diium-1-yl)-2-thiophen-2-ylethyl]amino]methylidene]cyclohexa-2,4-dien-1-one Traditional Name: 6-[[[(2R)-2-(4-methylpiperazine-1,4-diium-1-yl)-2-(2-thienyl)ethyl]amino]methylene]cyclohexa-2,4-dien-1-one Formula: C18H25N3OS+2 MolecularWeight: 331.4756

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CC[NH+](CC1)C(CNC=C2C=CC=CC2=O)C3=CC=CS3

Isomeric SMILES

C[NH+]1CC[NH+](CC1)[C@H](CNC=C2C=CC=CC2=O)C3=CC=CS3

InChI

InChI=1S/C18H23N3OS/c1-20-8-10-21(11-9-20)16(18-7-4-12-23-18)14-19-13-15-5-2-3-6-17(15)22/h2-7,12-13,16,19H,8-11,14H2,1H3/p+2/t16-/m1/s1