N-(4-pyrazol-1-ylphenyl)-1-[(3,5,6-trimethylpyrazin-2-yl)methyl]piperidin-1-ium-4-carboxamide

Systemtic Name: N-(4-pyrazol-1-ylphenyl)-1-[(3,5,6-trimethylpyrazin-2-yl)methyl]piperidin-1-ium-4-carboxamide Openeye Name: N-(4-pyrazol-1-ylphenyl)-1-[(3,5,6-trimethylpyrazin-2-yl)methyl]piperidin-1-ium-4-carboxamide CAS Name: N-[4-(1-pyrazolyl)phenyl]-1-[(3,5,6-trimethyl-2-pyrazinyl)methyl]-4-piperidin-1-iumcarboxamide IUPAC Name: N-(4-pyrazol-1-ylphenyl)-1-[(3,5,6-trimethylpyrazin-2-yl)methyl]piperidin-1-ium-4-carboxamide Traditional Name: N-(4-pyrazol-1-ylphenyl)-1-[(3,5,6-trimethylpyrazin-2-yl)methyl]piperidin-1-ium-4-carboxamide Formula: C23H29N6O+ MolecularWeight: 405.51596

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C(C(=N1)C)C[NH+]2CCC(CC2)C(=O)NC3=CC=C(C=C3)N4C=CC=N4)C

Isomeric SMILES

CC1=C(N=C(C(=N1)C)C[NH+]2CCC(CC2)C(=O)NC3=CC=C(C=C3)N4C=CC=N4)C

InChI

InChI=1S/C23H28N6O/c1-16-17(2)26-22(18(3)25-16)15-28-13-9-19(10-14-28)23(30)27-20-5-7-21(8-6-20)29-12-4-11-24-29/h4-8,11-12,19H,9-10,13-15H2,1-3H3,(H,27,30)/p+1