N-(3-imidazol-1-ylpropyl)-1-[2-(1-methoxypyridin-1-ium-4-yl)ethanoyl]piperazine-2-carboxamide

Systemtic Name: N-(3-imidazol-1-ylpropyl)-1-[2-(1-methoxypyridin-1-ium-4-yl)ethanoyl]piperazine-2-carboxamide Openeye Name: N-(3-imidazol-1-ylpropyl)-1-[2-(1-methoxypyridin-1-ium-4-yl)acetyl]piperazine-2-carboxamide CAS Name: N-[3-(1-imidazolyl)propyl]-1-[2-(1-methoxy-4-pyridin-1-iumyl)-1-oxoethyl]-2-piperazinecarboxamide IUPAC Name: N-(3-imidazol-1-ylpropyl)-1-[2-(1-methoxypyridin-1-ium-4-yl)acetyl]piperazine-2-carboxamide Traditional Name: N-(3-imidazol-1-ylpropyl)-1-[2-(1-methoxypyridin-1-ium-4-yl)acetyl]piperazine-2-carboxamide Formula: C19H27N6O3+ MolecularWeight: 387.45608

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CO[N+]1=CC=C(C=C1)CC(=O)N2CCNCC2C(=O)NCCCN3C=CN=C3

Isomeric SMILES

CO[N+]1=CC=C(C=C1)CC(=O)N2CCNCC2C(=O)NCCCN3C=CN=C3

InChI

InChI=1S/C19H26N6O3/c1-28-24-9-3-16(4-10-24)13-18(26)25-12-7-20-14-17(25)19(27)22-5-2-8-23-11-6-21-15-23/h3-4,6,9-11,15,17,20H,2,5,7-8,12-14H2,1H3/p+1