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

Systemtic Name: N-[2-(2-methoxyethylamino)-2-oxidanylidene-ethyl]-N-phenyl-6-pyrrolidin-1-yl-pyridin-1-ium-3-carboxamide Openeye Name: N-[2-(2-methoxyethylamino)-2-oxo-ethyl]-N-phenyl-6-pyrrolidin-1-yl-pyridin-1-ium-3-carboxamide CAS Name: N-[2-(2-methoxyethylamino)-2-oxoethyl]-N-phenyl-6-(1-pyrrolidinyl)-3-pyridin-1-iumcarboxamide IUPAC Name: N-[2-(2-methoxyethylamino)-2-oxoethyl]-N-phenyl-6-pyrrolidin-1-ylpyridin-1-ium-3-carboxamide Traditional Name: N-[2-keto-2-(2-methoxyethylamino)ethyl]-N-phenyl-6-pyrrolidino-pyridin-1-ium-3-carboxamide Formula: C21H27N4O3+ MolecularWeight: 383.46408

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26N4O3/c1-28-14-11-22-20(26)16-25(18-7-3-2-4-8-18)21(27)17-9-10-19(23-15-17)24-12-5-6-13-24/h2-4,7-10,15H,5-6,11-14,16H2,1H3,(H,22,26)/p+1