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

Systemtic Name: N-[3-chloranyl-4-(4-ethylpiperazin-4-ium-1-yl)phenyl]pyridine-3-carboxamide Openeye Name: N-[3-chloro-4-(4-ethylpiperazin-4-ium-1-yl)phenyl]pyridine-3-carboxamide CAS Name: N-[3-chloro-4-(4-ethyl-1-piperazin-4-iumyl)phenyl]-3-pyridinecarboxamide IUPAC Name: N-[3-chloro-4-(4-ethylpiperazin-4-ium-1-yl)phenyl]pyridine-3-carboxamide Traditional Name: N-[3-chloro-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=C(C=C(C=C2)NC(=O)C3=CN=CC=C3)Cl

Isomeric SMILES

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

InChI

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