1-[(2-butyl-1H-imidazol-5-yl)methyl]-N-(4-pyrazol-1-ylphenyl)piperidin-1-ium-4-carboxamide

Systemtic Name: 1-[(2-butyl-1H-imidazol-5-yl)methyl]-N-(4-pyrazol-1-ylphenyl)piperidin-1-ium-4-carboxamide Openeye Name: 1-[(2-butyl-1H-imidazol-5-yl)methyl]-N-(4-pyrazol-1-ylphenyl)piperidin-1-ium-4-carboxamide CAS Name: 1-[(2-butyl-1H-imidazol-5-yl)methyl]-N-[4-(1-pyrazolyl)phenyl]-4-piperidin-1-iumcarboxamide IUPAC Name: 1-[(2-butyl-1H-imidazol-5-yl)methyl]-N-(4-pyrazol-1-ylphenyl)piperidin-1-ium-4-carboxamide Traditional Name: 1-[(2-butyl-1H-imidazol-5-yl)methyl]-N-(4-pyrazol-1-ylphenyl)piperidin-1-ium-4-carboxamide Formula: C23H31N6O+ MolecularWeight: 407.53184

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC=C(N1)C[NH+]2CCC(CC2)C(=O)NC3=CC=C(C=C3)N4C=CC=N4

Isomeric SMILES

CCCCC1=NC=C(N1)C[NH+]2CCC(CC2)C(=O)NC3=CC=C(C=C3)N4C=CC=N4

InChI

InChI=1S/C23H30N6O/c1-2-3-5-22-24-16-20(26-22)17-28-14-10-18(11-15-28)23(30)27-19-6-8-21(9-7-19)29-13-4-12-25-29/h4,6-9,12-13,16,18H,2-3,5,10-11,14-15,17H2,1H3,(H,24,26)(H,27,30)/p+1