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

Systemtic Name: 2-chloranyl-N-[4-(4-ethylpiperazin-4-ium-1-yl)phenyl]pyridine-3-carboxamide Openeye Name: 2-chloro-N-[4-(4-ethylpiperazin-4-ium-1-yl)phenyl]pyridine-3-carboxamide CAS Name: 2-chloro-N-[4-(4-ethyl-1-piperazin-4-iumyl)phenyl]-3-pyridinecarboxamide IUPAC Name: 2-chloro-N-[4-(4-ethylpiperazin-4-ium-1-yl)phenyl]pyridine-3-carboxamide Traditional Name: 2-chloro-N-[4-(4-ethylpiperazin-4-ium-1-yl)phenyl]nicotinamide Formula: C18H22ClN4O+ MolecularWeight: 345.84648

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H21ClN4O/c1-2-22-10-12-23(13-11-22)15-7-5-14(6-8-15)21-18(24)16-4-3-9-20-17(16)19/h3-9H,2,10-13H2,1H3,(H,21,24)/p+1