butyl 4-[2-[4-(dimethylamino)pyridin-1-ium-1-yl]ethanoylamino]benzoate

Systemtic Name: butyl 4-[2-[4-(dimethylamino)pyridin-1-ium-1-yl]ethanoylamino]benzoate Openeye Name: butyl 4-[[2-[4-(dimethylamino)pyridin-1-ium-1-yl]acetyl]amino]benzoate CAS Name: 4-[[2-[4-(dimethylamino)-1-pyridin-1-iumyl]-1-oxoethyl]amino]benzoic acid butyl ester IUPAC Name: butyl 4-[[2-[4-(dimethylamino)pyridin-1-ium-1-yl]acetyl]amino]benzoate Traditional Name: 4-[[2-[4-(dimethylamino)pyridin-1-ium-1-yl]acetyl]amino]benzoic acid butyl ester Formula: C20H26N3O3+ MolecularWeight: 356.43874

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)C[N+]2=CC=C(C=C2)N(C)C

Isomeric SMILES

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)C[N+]2=CC=C(C=C2)N(C)C

InChI

InChI=1S/C20H25N3O3/c1-4-5-14-26-20(25)16-6-8-17(9-7-16)21-19(24)15-23-12-10-18(11-13-23)22(2)3/h6-13H,4-5,14-15H2,1-3H3/p+1