N-[4-[(S)-piperazin-4-ium-1-yl(pyridin-3-yl)methyl]phenyl]ethanamide

Systemtic Name: N-[4-[(S)-piperazin-4-ium-1-yl(pyridin-3-yl)methyl]phenyl]ethanamide Openeye Name: N-[4-[(S)-piperazin-4-ium-1-yl(3-pyridyl)methyl]phenyl]acetamide CAS Name: N-[4-[(S)-1-piperazin-4-iumyl(3-pyridinyl)methyl]phenyl]acetamide IUPAC Name: N-[4-[(S)-piperazin-4-ium-1-yl(pyridin-3-yl)methyl]phenyl]acetamide Traditional Name: N-[4-[(S)-piperazin-4-ium-1-yl(3-pyridyl)methyl]phenyl]acetamide Formula: C18H23N4O+ MolecularWeight: 311.40142

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)C(C2=CN=CC=C2)N3CC[NH2+]CC3

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)[C@@H](C2=CN=CC=C2)N3CC[NH2+]CC3

InChI

InChI=1S/C18H22N4O/c1-14(23)21-17-6-4-15(5-7-17)18(16-3-2-8-20-13-16)22-11-9-19-10-12-22/h2-8,13,18-19H,9-12H2,1H3,(H,21,23)/p+1/t18-/m0/s1