(4-hexadecyl-2-methyl-3H-imidazo[1,2-a]benzimidazol-4-ium-1-yl)-thiophen-2-yl-methanone

Systemtic Name: (4-hexadecyl-2-methyl-3H-imidazo[1,2-a]benzimidazol-4-ium-1-yl)-thiophen-2-yl-methanone Openeye Name: (4-hexadecyl-2-methyl-3H-imidazo[1,2-a]benzimidazol-4-ium-1-yl)-(2-thienyl)methanone CAS Name: (4-hexadecyl-2-methyl-3H-imidazo[1,2-a]benzimidazol-4-ium-1-yl)-thiophen-2-ylmethanone IUPAC Name: (4-hexadecyl-2-methyl-3H-imidazo[1,2-a]benzimidazol-4-ium-1-yl)-thiophen-2-ylmethanone Traditional Name: (4-cetyl-2-methyl-3H-imidazo[1,2-a]benzimidazol-4-ium-1-yl)-(2-thienyl)methanone Formula: C31H44N3OS+ MolecularWeight: 506.76556

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC[N+]1=C2NC(=C(N2C3=CC=CC=C31)C(=O)C4=CC=CS4)C

Isomeric SMILES

CCCCCCCCCCCCCCCC[N+]1=C2NC(=C(N2C3=CC=CC=C31)C(=O)C4=CC=CS4)C

InChI

InChI=1S/C31H43N3OS/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-18-23-33-26-20-16-17-21-27(26)34-29(25(2)32-31(33)34)30(35)28-22-19-24-36-28/h16-17,19-22,24H,3-15,18,23H2,1-2H3/p+1