1-[3-(4-acetamidophenoxy)propyl]pyridin-1-ium-3-carboxamide

Systemtic Name: 1-[3-(4-acetamidophenoxy)propyl]pyridin-1-ium-3-carboxamide Openeye Name: 1-[3-(4-acetamidophenoxy)propyl]pyridin-1-ium-3-carboxamide CAS Name: 1-[3-(4-acetamidophenoxy)propyl]-3-pyridin-1-iumcarboxamide IUPAC Name: 1-[3-(4-acetamidophenoxy)propyl]pyridin-1-ium-3-carboxamide Traditional Name: 1-[3-(4-acetamidophenoxy)propyl]pyridin-1-ium-3-carboxamide Formula: C17H20N3O3+ MolecularWeight: 314.359

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)OCCC[N+]2=CC=CC(=C2)C(=O)N

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)OCCC[N+]2=CC=CC(=C2)C(=O)N

InChI

InChI=1S/C17H19N3O3/c1-13(21)19-15-5-7-16(8-6-15)23-11-3-10-20-9-2-4-14(12-20)17(18)22/h2,4-9,12H,3,10-11H2,1H3,(H2-,18,19,21,22)/p+1