4-[[[3-(2-morpholin-4-ylethyl)-1H-benzimidazol-3-ium-2-yl]amino]methylidene]cyclohexa-2,5-dien-1-one

Systemtic Name: 4-[[[3-(2-morpholin-4-ylethyl)-1H-benzimidazol-3-ium-2-yl]amino]methylidene]cyclohexa-2,5-dien-1-one Openeye Name: 4-[[[3-(2-morpholinoethyl)-1H-benzimidazol-3-ium-2-yl]amino]methylene]cyclohexa-2,5-dien-1-one CAS Name: 4-[[[3-[2-(4-morpholinyl)ethyl]-1H-benzimidazol-3-ium-2-yl]amino]methylidene]-1-cyclohexa-2,5-dienone IUPAC Name: 4-[[[3-(2-morpholin-4-ylethyl)-1H-benzimidazol-3-ium-2-yl]amino]methylidene]cyclohexa-2,5-dien-1-one Traditional Name: 4-[[[3-(2-morpholinoethyl)-1H-benzimidazol-3-ium-2-yl]amino]methylene]cyclohexa-2,5-dien-1-one Formula: C20H23N4O2+ MolecularWeight: 351.42222

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1CC[N+]2=C(NC3=CC=CC=C32)NC=C4C=CC(=O)C=C4

Isomeric SMILES

C1COCCN1CC[N+]2=C(NC3=CC=CC=C32)NC=C4C=CC(=O)C=C4

InChI

InChI=1S/C20H22N4O2/c25-17-7-5-16(6-8-17)15-21-20-22-18-3-1-2-4-19(18)24(20)10-9-23-11-13-26-14-12-23/h1-8,15H,9-14H2,(H,21,22,25)/p+1