1-[2-oxidanylidene-2-[phenyl(propan-2-yl)amino]ethyl]-N-(phenylmethyl)pyridin-1-ium-4-carboxamide

Systemtic Name: 1-[2-oxidanylidene-2-[phenyl(propan-2-yl)amino]ethyl]-N-(phenylmethyl)pyridin-1-ium-4-carboxamide Openeye Name: N-benzyl-1-[2-(N-isopropylanilino)-2-oxo-ethyl]pyridin-1-ium-4-carboxamide CAS Name: 1-[2-oxo-2-(N-propan-2-ylanilino)ethyl]-N-(phenylmethyl)-4-pyridin-1-iumcarboxamide IUPAC Name: N-benzyl-1-[2-oxo-2-(N-propan-2-ylanilino)ethyl]pyridin-1-ium-4-carboxamide Traditional Name: N-benzyl-1-[2-(N-isopropylanilino)-2-keto-ethyl]pyridin-1-ium-4-carboxamide Formula: C24H26N3O2+ MolecularWeight: 388.48214

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N(C1=CC=CC=C1)C(=O)C[N+]2=CC=C(C=C2)C(=O)NCC3=CC=CC=C3

Isomeric SMILES

CC(C)N(C1=CC=CC=C1)C(=O)C[N+]2=CC=C(C=C2)C(=O)NCC3=CC=CC=C3

InChI

InChI=1S/C24H25N3O2/c1-19(2)27(22-11-7-4-8-12-22)23(28)18-26-15-13-21(14-16-26)24(29)25-17-20-9-5-3-6-10-20/h3-16,19H,17-18H2,1-2H3/p+1