methyl N-[(2S)-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)propanoyl]carbamate

Systemtic Name: methyl N-[(2S)-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)propanoyl]carbamate Openeye Name: methyl N-[(2S)-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)propanoyl]carbamate CAS Name: N-[(2S)-1-oxo-2-[4-(2-pyridin-1-iumyl)-1-piperazin-1-iumyl]propyl]carbamic acid methyl ester IUPAC Name: methyl N-[(2S)-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)propanoyl]carbamate Traditional Name: N-[(2S)-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)propanoyl]carbamic acid methyl ester Formula: C14H22N4O3+2 MolecularWeight: 294.34948

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(=O)OC)[NH+]1CCN(CC1)C2=CC=CC=[NH+]2

Isomeric SMILES

C[C@@H](C(=O)NC(=O)OC)[NH+]1CCN(CC1)C2=CC=CC=[NH+]2

InChI

InChI=1S/C14H20N4O3/c1-11(13(19)16-14(20)21-2)17-7-9-18(10-8-17)12-5-3-4-6-15-12/h3-6,11H,7-10H2,1-2H3,(H,16,19,20)/p+2/t11-/m0/s1