(2E)-2-[[4-(4,4-diphenylpiperazin-4-ium-1-yl)pyridin-3-yl]methylidene]hexanamide

Systemtic Name: (2E)-2-[[4-(4,4-diphenylpiperazin-4-ium-1-yl)pyridin-3-yl]methylidene]hexanamide Openeye Name: (2E)-2-[[4-(4,4-diphenylpiperazin-4-ium-1-yl)-3-pyridyl]methylene]hexanamide CAS Name: (2E)-2-[[4-(4,4-diphenyl-1-piperazin-4-iumyl)-3-pyridinyl]methylidene]hexanamide IUPAC Name: (2E)-2-[[4-(4,4-diphenylpiperazin-4-ium-1-yl)pyridin-3-yl]methylidene]hexanamide Traditional Name: (E)-2-butyl-3-[4-(4,4-diphenylpiperazin-4-ium-1-yl)-3-pyridyl]acrylamide Formula: C28H33N4O+ MolecularWeight: 441.58782

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=CC1=C(C=CN=C1)N2CC[N+](CC2)(C3=CC=CC=C3)C4=CC=CC=C4)C(=O)N

Isomeric SMILES

CCCC/C(=C\C1=C(C=CN=C1)N2CC[N+](CC2)(C3=CC=CC=C3)C4=CC=CC=C4)/C(=O)N

InChI

InChI=1S/C28H32N4O/c1-2-3-10-23(28(29)33)21-24-22-30-16-15-27(24)31-17-19-32(20-18-31,25-11-6-4-7-12-25)26-13-8-5-9-14-26/h4-9,11-16,21-22H,2-3,10,17-20H2,1H3,(H-,29,33)/p+1/b23-21+