5-bromanyl-N-[3-chloranyl-4-(4-ethylpiperazin-4-ium-1-yl)phenyl]pyridine-3-carboxamide

Systemtic Name: 5-bromanyl-N-[3-chloranyl-4-(4-ethylpiperazin-4-ium-1-yl)phenyl]pyridine-3-carboxamide Openeye Name: 5-bromo-N-[3-chloro-4-(4-ethylpiperazin-4-ium-1-yl)phenyl]pyridine-3-carboxamide CAS Name: 5-bromo-N-[3-chloro-4-(4-ethyl-1-piperazin-4-iumyl)phenyl]-3-pyridinecarboxamide IUPAC Name: 5-bromo-N-[3-chloro-4-(4-ethylpiperazin-4-ium-1-yl)phenyl]pyridine-3-carboxamide Traditional Name: 5-bromo-N-[3-chloro-4-(4-ethylpiperazin-4-ium-1-yl)phenyl]nicotinamide Formula: C18H21BrClN4O+ MolecularWeight: 424.74254

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H20BrClN4O/c1-2-23-5-7-24(8-6-23)17-4-3-15(10-16(17)20)22-18(25)13-9-14(19)12-21-11-13/h3-4,9-12H,2,5-8H2,1H3,(H,22,25)/p+1