N-[2-(tert-butylamino)-2-oxidanylidene-ethyl]-N-phenyl-6-pyrrolidin-1-yl-pyridin-1-ium-3-carboxamide

Systemtic Name: N-[2-(tert-butylamino)-2-oxidanylidene-ethyl]-N-phenyl-6-pyrrolidin-1-yl-pyridin-1-ium-3-carboxamide Openeye Name: N-[2-(tert-butylamino)-2-oxo-ethyl]-N-phenyl-6-pyrrolidin-1-yl-pyridin-1-ium-3-carboxamide CAS Name: N-[2-(tert-butylamino)-2-oxoethyl]-N-phenyl-6-(1-pyrrolidinyl)-3-pyridin-1-iumcarboxamide IUPAC Name: N-[2-(tert-butylamino)-2-oxoethyl]-N-phenyl-6-pyrrolidin-1-ylpyridin-1-ium-3-carboxamide Traditional Name: N-[2-(tert-butylamino)-2-keto-ethyl]-N-phenyl-6-pyrrolidino-pyridin-1-ium-3-carboxamide Formula: C22H29N4O2+ MolecularWeight: 381.49126

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)CN(C1=CC=CC=C1)C(=O)C2=C[NH+]=C(C=C2)N3CCCC3

Isomeric SMILES

CC(C)(C)NC(=O)CN(C1=CC=CC=C1)C(=O)C2=C[NH+]=C(C=C2)N3CCCC3

InChI

InChI=1S/C22H28N4O2/c1-22(2,3)24-20(27)16-26(18-9-5-4-6-10-18)21(28)17-11-12-19(23-15-17)25-13-7-8-14-25/h4-6,9-12,15H,7-8,13-14,16H2,1-3H3,(H,24,27)/p+1