6-[[[1-(2-piperidin-1-ium-1-ylethyl)benzimidazol-2-yl]amino]methylidene]cyclohexa-2,4-dien-1-one

Systemtic Name: 6-[[[1-(2-piperidin-1-ium-1-ylethyl)benzimidazol-2-yl]amino]methylidene]cyclohexa-2,4-dien-1-one Openeye Name: 6-[[[1-(2-piperidin-1-ium-1-ylethyl)benzimidazol-2-yl]amino]methylene]cyclohexa-2,4-dien-1-one CAS Name: 6-[[[1-[2-(1-piperidin-1-iumyl)ethyl]-2-benzimidazolyl]amino]methylidene]-1-cyclohexa-2,4-dienone IUPAC Name: 6-[[[1-(2-piperidin-1-ium-1-ylethyl)benzimidazol-2-yl]amino]methylidene]cyclohexa-2,4-dien-1-one Traditional Name: 6-[[[1-(2-piperidin-1-ium-1-ylethyl)benzimidazol-2-yl]amino]methylene]cyclohexa-2,4-dien-1-one Formula: C21H25N4O+ MolecularWeight: 349.4494

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CCN2C3=CC=CC=C3N=C2NC=C4C=CC=CC4=O

Isomeric SMILES

C1CC[NH+](CC1)CCN2C3=CC=CC=C3N=C2NC=C4C=CC=CC4=O

InChI

InChI=1S/C21H24N4O/c26-20-11-5-2-8-17(20)16-22-21-23-18-9-3-4-10-19(18)25(21)15-14-24-12-6-1-7-13-24/h2-5,8-11,16H,1,6-7,12-15H2,(H,22,23)/p+1