2-[4-(4-pyridin-3-ylcarbonylpiperazin-1-yl)phenyl]ethylazanium

Systemtic Name: 2-[4-(4-pyridin-3-ylcarbonylpiperazin-1-yl)phenyl]ethylazanium Openeye Name: 2-[4-[4-(pyridine-3-carbonyl)piperazin-1-yl]phenyl]ethylammonium CAS Name: 2-[4-[4-[oxo(3-pyridinyl)methyl]-1-piperazinyl]phenyl]ethylammonium IUPAC Name: 2-[4-[4-(pyridine-3-carbonyl)piperazin-1-yl]phenyl]ethylazanium Traditional Name: 2-[4-(4-nicotinoylpiperazino)phenyl]ethylammonium Formula: C18H23N4O+ MolecularWeight: 311.40142

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=C(C=C2)CC[NH3+])C(=O)C3=CN=CC=C3

Isomeric SMILES

C1CN(CCN1C2=CC=C(C=C2)CC[NH3+])C(=O)C3=CN=CC=C3

InChI

InChI=1S/C18H22N4O/c19-8-7-15-3-5-17(6-4-15)21-10-12-22(13-11-21)18(23)16-2-1-9-20-14-16/h1-6,9,14H,7-8,10-13,19H2/p+1