1-(1,3-benzoxazol-2-yl)-N-[[6-(4-methylpiperazin-4-ium-1-yl)pyridin-3-yl]methyl]piperidine-4-carboxamide

Systemtic Name: 1-(1,3-benzoxazol-2-yl)-N-[[6-(4-methylpiperazin-4-ium-1-yl)pyridin-3-yl]methyl]piperidine-4-carboxamide Openeye Name: 1-(1,3-benzoxazol-2-yl)-N-[[6-(4-methylpiperazin-4-ium-1-yl)-3-pyridyl]methyl]piperidine-4-carboxamide CAS Name: 1-(1,3-benzoxazol-2-yl)-N-[[6-(4-methyl-1-piperazin-4-iumyl)-3-pyridinyl]methyl]-4-piperidinecarboxamide IUPAC Name: 1-(1,3-benzoxazol-2-yl)-N-[[6-(4-methylpiperazin-4-ium-1-yl)pyridin-3-yl]methyl]piperidine-4-carboxamide Traditional Name: 1-(1,3-benzoxazol-2-yl)-N-[[6-(4-methylpiperazin-4-ium-1-yl)-3-pyridyl]methyl]isonipecotamide Formula: C24H31N6O2+ MolecularWeight: 435.54194

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H30N6O2/c1-28-12-14-29(15-13-28)22-7-6-18(16-25-22)17-26-23(31)19-8-10-30(11-9-19)24-27-20-4-2-3-5-21(20)32-24/h2-7,16,19H,8-15,17H2,1H3,(H,26,31)/p+1