N-[4-(1H-benzimidazol-2-yl)phenyl]-1-[(1-ethyl-5-methyl-pyrazol-4-yl)methyl]piperidin-1-ium-4-carboxamide

Systemtic Name: N-[4-(1H-benzimidazol-2-yl)phenyl]-1-[(1-ethyl-5-methyl-pyrazol-4-yl)methyl]piperidin-1-ium-4-carboxamide Openeye Name: N-[4-(1H-benzimidazol-2-yl)phenyl]-1-[(1-ethyl-5-methyl-pyrazol-4-yl)methyl]piperidin-1-ium-4-carboxamide CAS Name: N-[4-(1H-benzimidazol-2-yl)phenyl]-1-[(1-ethyl-5-methyl-4-pyrazolyl)methyl]-4-piperidin-1-iumcarboxamide IUPAC Name: N-[4-(1H-benzimidazol-2-yl)phenyl]-1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]piperidin-1-ium-4-carboxamide Traditional Name: N-[4-(1H-benzimidazol-2-yl)phenyl]-1-[(1-ethyl-5-methyl-pyrazol-4-yl)methyl]piperidin-1-ium-4-carboxamide Formula: C26H31N6O+ MolecularWeight: 443.56394

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=C(C=N1)C[NH+]2CCC(CC2)C(=O)NC3=CC=C(C=C3)C4=NC5=CC=CC=C5N4)C

Isomeric SMILES

CCN1C(=C(C=N1)C[NH+]2CCC(CC2)C(=O)NC3=CC=C(C=C3)C4=NC5=CC=CC=C5N4)C

InChI

InChI=1S/C26H30N6O/c1-3-32-18(2)21(16-27-32)17-31-14-12-20(13-15-31)26(33)28-22-10-8-19(9-11-22)25-29-23-6-4-5-7-24(23)30-25/h4-11,16,20H,3,12-15,17H2,1-2H3,(H,28,33)(H,29,30)/p+1