6-[[[(2R)-2-morpholin-4-ium-4-yl-2-thiophen-2-yl-ethyl]amino]methylidene]-3-propoxy-cyclohexa-2,4-dien-1-one

Systemtic Name: 6-[[[(2R)-2-morpholin-4-ium-4-yl-2-thiophen-2-yl-ethyl]amino]methylidene]-3-propoxy-cyclohexa-2,4-dien-1-one Openeye Name: 6-[[[(2R)-2-morpholin-4-ium-4-yl-2-(2-thienyl)ethyl]amino]methylene]-3-propoxy-cyclohexa-2,4-dien-1-one CAS Name: 6-[[[(2R)-2-(4-morpholin-4-iumyl)-2-thiophen-2-ylethyl]amino]methylidene]-3-propoxy-1-cyclohexa-2,4-dienone IUPAC Name: 6-[[[(2R)-2-morpholin-4-ium-4-yl-2-thiophen-2-ylethyl]amino]methylidene]-3-propoxycyclohexa-2,4-dien-1-one Traditional Name: 6-[[[(2R)-2-morpholin-4-ium-4-yl-2-(2-thienyl)ethyl]amino]methylene]-3-propoxy-cyclohexa-2,4-dien-1-one Formula: C20H27N2O3S+ MolecularWeight: 375.50498

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC(=O)C(=CNCC(C2=CC=CS2)[NH+]3CCOCC3)C=C1

Isomeric SMILES

CCCOC1=CC(=O)C(=CNC[C@H](C2=CC=CS2)[NH+]3CCOCC3)C=C1

InChI

InChI=1S/C20H26N2O3S/c1-2-9-25-17-6-5-16(19(23)13-17)14-21-15-18(20-4-3-12-26-20)22-7-10-24-11-8-22/h3-6,12-14,18,21H,2,7-11,15H2,1H3/p+1/t18-/m1/s1