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

Systemtic Name: 4-[[[1-(2-piperidin-1-ium-1-ylethyl)benzimidazol-2-yl]amino]methylidene]cyclohexa-2,5-dien-1-one Openeye Name: 4-[[[1-(2-piperidin-1-ium-1-ylethyl)benzimidazol-2-yl]amino]methylene]cyclohexa-2,5-dien-1-one CAS Name: 4-[[[1-[2-(1-piperidin-1-iumyl)ethyl]-2-benzimidazolyl]amino]methylidene]-1-cyclohexa-2,5-dienone IUPAC Name: 4-[[[1-(2-piperidin-1-ium-1-ylethyl)benzimidazol-2-yl]amino]methylidene]cyclohexa-2,5-dien-1-one Traditional Name: 4-[[[1-(2-piperidin-1-ium-1-ylethyl)benzimidazol-2-yl]amino]methylene]cyclohexa-2,5-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(=O)C=C4

Isomeric SMILES

C1CC[NH+](CC1)CCN2C3=CC=CC=C3N=C2NC=C4C=CC(=O)C=C4

InChI

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