N-[4-[(S)-piperazin-4-ium-1-yl(pyridin-2-yl)methyl]phenyl]ethanamide

Systemtic Name: N-[4-[(S)-piperazin-4-ium-1-yl(pyridin-2-yl)methyl]phenyl]ethanamide Openeye Name: N-[4-[(S)-piperazin-4-ium-1-yl(2-pyridyl)methyl]phenyl]acetamide CAS Name: N-[4-[(S)-1-piperazin-4-iumyl(2-pyridinyl)methyl]phenyl]acetamide IUPAC Name: N-[4-[(S)-piperazin-4-ium-1-yl(pyridin-2-yl)methyl]phenyl]acetamide Traditional Name: N-[4-[(S)-piperazin-4-ium-1-yl(2-pyridyl)methyl]phenyl]acetamide Formula: C18H23N4O+ MolecularWeight: 311.40142

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)C(C2=CC=CC=N2)N3CC[NH2+]CC3

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)[C@@H](C2=CC=CC=N2)N3CC[NH2+]CC3

InChI

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