2-ethoxy-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: 2-ethoxy-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: 2-ethoxy-6-[[[(2R)-2-(4-methylpiperazine-1,4-diium-1-yl)-2-(2-thienyl)ethyl]amino]methylene]cyclohexa-2,4-dien-1-one CAS Name: 2-ethoxy-6-[[[(2R)-2-(4-methyl-1-piperazine-1,4-diiumyl)-2-thiophen-2-ylethyl]amino]methylidene]-1-cyclohexa-2,4-dienone IUPAC Name: 2-ethoxy-6-[[[(2R)-2-(4-methylpiperazine-1,4-diium-1-yl)-2-thiophen-2-ylethyl]amino]methylidene]cyclohexa-2,4-dien-1-one Traditional Name: 2-ethoxy-6-[[[(2R)-2-(4-methylpiperazine-1,4-diium-1-yl)-2-(2-thienyl)ethyl]amino]methylene]cyclohexa-2,4-dien-1-one Formula: C20H29N3O2S+2 MolecularWeight: 375.52816

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC(=CNCC(C2=CC=CS2)[NH+]3CC[NH+](CC3)C)C1=O

Isomeric SMILES

CCOC1=CC=CC(=CNC[C@H](C2=CC=CS2)[NH+]3CC[NH+](CC3)C)C1=O

InChI

InChI=1S/C20H27N3O2S/c1-3-25-18-7-4-6-16(20(18)24)14-21-15-17(19-8-5-13-26-19)23-11-9-22(2)10-12-23/h4-8,13-14,17,21H,3,9-12,15H2,1-2H3/p+2/t17-/m1/s1