6-[[[4-(morpholin-4-ium-4-ylmethyl)phenyl]methylamino]methylidene]-3-propoxy-cyclohexa-2,4-dien-1-one

Systemtic Name: 6-[[[4-(morpholin-4-ium-4-ylmethyl)phenyl]methylamino]methylidene]-3-propoxy-cyclohexa-2,4-dien-1-one Openeye Name: 6-[[[4-(morpholin-4-ium-4-ylmethyl)phenyl]methylamino]methylene]-3-propoxy-cyclohexa-2,4-dien-1-one CAS Name: 6-[[[4-(4-morpholin-4-iumylmethyl)phenyl]methylamino]methylidene]-3-propoxy-1-cyclohexa-2,4-dienone IUPAC Name: 6-[[[4-(morpholin-4-ium-4-ylmethyl)phenyl]methylamino]methylidene]-3-propoxycyclohexa-2,4-dien-1-one Traditional Name: 6-[[[4-(morpholin-4-ium-4-ylmethyl)benzyl]amino]methylene]-3-propoxy-cyclohexa-2,4-dien-1-one Formula: C22H29N2O3+ MolecularWeight: 369.47726

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC(=O)C(=CNCC2=CC=C(C=C2)C[NH+]3CCOCC3)C=C1

Isomeric SMILES

CCCOC1=CC(=O)C(=CNCC2=CC=C(C=C2)C[NH+]3CCOCC3)C=C1

InChI

InChI=1S/C22H28N2O3/c1-2-11-27-21-8-7-20(22(25)14-21)16-23-15-18-3-5-19(6-4-18)17-24-9-12-26-13-10-24/h3-8,14,16,23H,2,9-13,15,17H2,1H3/p+1