3-(4-phenylpiperazin-1-ium-1-yl)-N-[(Z)-1-pyridin-3-ylethylideneamino]propanamide

Systemtic Name: 3-(4-phenylpiperazin-1-ium-1-yl)-N-[(Z)-1-pyridin-3-ylethylideneamino]propanamide Openeye Name: 3-(4-phenylpiperazin-1-ium-1-yl)-N-[(Z)-1-(3-pyridyl)ethylideneamino]propanamide CAS Name: 3-(4-phenyl-1-piperazin-1-iumyl)-N-[(Z)-1-(3-pyridinyl)ethylideneamino]propanamide IUPAC Name: 3-(4-phenylpiperazin-1-ium-1-yl)-N-[(Z)-1-pyridin-3-ylethylideneamino]propanamide Traditional Name: 3-(4-phenylpiperazin-1-ium-1-yl)-N-[(Z)-1-(3-pyridyl)ethylideneamino]propionamide Formula: C20H26N5O+ MolecularWeight: 352.45334

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Descriptors Computed from Structure

Canonical SMILES:

CC(=NNC(=O)CC[NH+]1CCN(CC1)C2=CC=CC=C2)C3=CN=CC=C3

Isomeric SMILES

C/C(=N/NC(=O)CC[NH+]1CCN(CC1)C2=CC=CC=C2)/C3=CN=CC=C3

InChI

InChI=1S/C20H25N5O/c1-17(18-6-5-10-21-16-18)22-23-20(26)9-11-24-12-14-25(15-13-24)19-7-3-2-4-8-19/h2-8,10,16H,9,11-15H2,1H3,(H,23,26)/p+1/b22-17-