1-(1,3-benzoxazol-2-yl)-N-[5-chloranyl-2-(4-methylpiperazin-4-ium-1-yl)phenyl]piperidine-4-carboxamide

Systemtic Name: 1-(1,3-benzoxazol-2-yl)-N-[5-chloranyl-2-(4-methylpiperazin-4-ium-1-yl)phenyl]piperidine-4-carboxamide Openeye Name: 1-(1,3-benzoxazol-2-yl)-N-[5-chloro-2-(4-methylpiperazin-4-ium-1-yl)phenyl]piperidine-4-carboxamide CAS Name: 1-(1,3-benzoxazol-2-yl)-N-[5-chloro-2-(4-methyl-1-piperazin-4-iumyl)phenyl]-4-piperidinecarboxamide IUPAC Name: 1-(1,3-benzoxazol-2-yl)-N-[5-chloro-2-(4-methylpiperazin-4-ium-1-yl)phenyl]piperidine-4-carboxamide Traditional Name: 1-(1,3-benzoxazol-2-yl)-N-[5-chloro-2-(4-methylpiperazin-4-ium-1-yl)phenyl]isonipecotamide Formula: C24H29ClN5O2+ MolecularWeight: 454.97236

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C2=C(C=C(C=C2)Cl)NC(=O)C3CCN(CC3)C4=NC5=CC=CC=C5O4

Isomeric SMILES

C[NH+]1CCN(CC1)C2=C(C=C(C=C2)Cl)NC(=O)C3CCN(CC3)C4=NC5=CC=CC=C5O4

InChI

InChI=1S/C24H28ClN5O2/c1-28-12-14-29(15-13-28)21-7-6-18(25)16-20(21)26-23(31)17-8-10-30(11-9-17)24-27-19-4-2-3-5-22(19)32-24/h2-7,16-17H,8-15H2,1H3,(H,26,31)/p+1