1-methyl-N-[(1S)-7-oxidanylidene-1-(5-phenyl-1H-imidazol-2-yl)-7-pyridin-2-yl-heptyl]pyridin-1-ium-4-carboxamide

Systemtic Name: 1-methyl-N-[(1S)-7-oxidanylidene-1-(5-phenyl-1H-imidazol-2-yl)-7-pyridin-2-yl-heptyl]pyridin-1-ium-4-carboxamide Openeye Name: 1-methyl-N-[(1S)-7-oxo-1-(5-phenyl-1H-imidazol-2-yl)-7-(2-pyridyl)heptyl]pyridin-1-ium-4-carboxamide CAS Name: 1-methyl-N-[(1S)-7-oxo-1-(5-phenyl-1H-imidazol-2-yl)-7-(2-pyridinyl)heptyl]-4-pyridin-1-iumcarboxamide IUPAC Name: 1-methyl-N-[(1S)-7-oxo-1-(5-phenyl-1H-imidazol-2-yl)-7-pyridin-2-ylheptyl]pyridin-1-ium-4-carboxamide Traditional Name: N-[(1S)-7-keto-1-(5-phenyl-1H-imidazol-2-yl)-7-(2-pyridyl)heptyl]-1-methyl-pyridin-1-ium-4-carboxamide Formula: C28H30N5O2+ MolecularWeight: 468.5701

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CC=C(C=C1)C(=O)NC(CCCCCC(=O)C2=CC=CC=N2)C3=NC=C(N3)C4=CC=CC=C4

Isomeric SMILES

C[N+]1=CC=C(C=C1)C(=O)N[C@@H](CCCCCC(=O)C2=CC=CC=N2)C3=NC=C(N3)C4=CC=CC=C4

InChI

InChI=1S/C28H29N5O2/c1-33-18-15-22(16-19-33)28(35)32-24(27-30-20-25(31-27)21-10-4-2-5-11-21)13-6-3-7-14-26(34)23-12-8-9-17-29-23/h2,4-5,8-12,15-20,24H,3,6-7,13-14H2,1H3,(H-,30,31,32,35)/p+1/t24-/m0/s1