4-methoxy-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: 4-methoxy-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: 4-methoxy-6-[[[(2R)-2-(4-methylpiperazine-1,4-diium-1-yl)-2-(2-thienyl)ethyl]amino]methylene]cyclohexa-2,4-dien-1-one CAS Name: 4-methoxy-6-[[[(2R)-2-(4-methyl-1-piperazine-1,4-diiumyl)-2-thiophen-2-ylethyl]amino]methylidene]-1-cyclohexa-2,4-dienone IUPAC Name: 4-methoxy-6-[[[(2R)-2-(4-methylpiperazine-1,4-diium-1-yl)-2-thiophen-2-ylethyl]amino]methylidene]cyclohexa-2,4-dien-1-one Traditional Name: 4-methoxy-6-[[[(2R)-2-(4-methylpiperazine-1,4-diium-1-yl)-2-(2-thienyl)ethyl]amino]methylene]cyclohexa-2,4-dien-1-one Formula: C19H27N3O2S+2 MolecularWeight: 361.50158

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H25N3O2S/c1-21-7-9-22(10-8-21)17(19-4-3-11-25-19)14-20-13-15-12-16(24-2)5-6-18(15)23/h3-6,11-13,17,20H,7-10,14H2,1-2H3/p+2/t17-/m1/s1