6-[[[(2R)-2-(4-methylpiperazine-1,4-diium-1-yl)-2-thiophen-2-yl-ethyl]amino]methylidene]-3-propoxy-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]-3-propoxy-cyclohexa-2,4-dien-1-one Openeye Name: 6-[[[(2R)-2-(4-methylpiperazine-1,4-diium-1-yl)-2-(2-thienyl)ethyl]amino]methylene]-3-propoxy-cyclohexa-2,4-dien-1-one CAS Name: 6-[[[(2R)-2-(4-methyl-1-piperazine-1,4-diiumyl)-2-thiophen-2-ylethyl]amino]methylidene]-3-propoxy-1-cyclohexa-2,4-dienone IUPAC Name: 6-[[[(2R)-2-(4-methylpiperazine-1,4-diium-1-yl)-2-thiophen-2-ylethyl]amino]methylidene]-3-propoxycyclohexa-2,4-dien-1-one Traditional Name: 6-[[[(2R)-2-(4-methylpiperazine-1,4-diium-1-yl)-2-(2-thienyl)ethyl]amino]methylene]-3-propoxy-cyclohexa-2,4-dien-1-one Formula: C21H31N3O2S+2 MolecularWeight: 389.55474

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC(=O)C(=CNCC(C2=CC=CS2)[NH+]3CC[NH+](CC3)C)C=C1

Isomeric SMILES

CCCOC1=CC(=O)C(=CNC[C@H](C2=CC=CS2)[NH+]3CC[NH+](CC3)C)C=C1

InChI

InChI=1S/C21H29N3O2S/c1-3-12-26-18-7-6-17(20(25)14-18)15-22-16-19(21-5-4-13-27-21)24-10-8-23(2)9-11-24/h4-7,13-15,19,22H,3,8-12,16H2,1-2H3/p+2/t19-/m1/s1