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

Systemtic Name: (2S)-N-(4-pyrazol-1-ylphenyl)-1-[(3,5,6-trimethylpyrazin-2-yl)methyl]piperidin-1-ium-2-carboxamide Openeye Name: (2S)-N-(4-pyrazol-1-ylphenyl)-1-[(3,5,6-trimethylpyrazin-2-yl)methyl]piperidin-1-ium-2-carboxamide CAS Name: (2S)-N-[4-(1-pyrazolyl)phenyl]-1-[(3,5,6-trimethyl-2-pyrazinyl)methyl]-2-piperidin-1-iumcarboxamide IUPAC Name: (2S)-N-(4-pyrazol-1-ylphenyl)-1-[(3,5,6-trimethylpyrazin-2-yl)methyl]piperidin-1-ium-2-carboxamide Traditional Name: (2S)-N-(4-pyrazol-1-ylphenyl)-1-[(3,5,6-trimethylpyrazin-2-yl)methyl]piperidin-1-ium-2-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+]2CCCCC2C(=O)NC3=CC=C(C=C3)N4C=CC=N4)C

Isomeric SMILES

CC1=C(N=C(C(=N1)C)C[NH+]2CCCC[C@H]2C(=O)NC3=CC=C(C=C3)N4C=CC=N4)C

InChI

InChI=1S/C23H28N6O/c1-16-17(2)26-21(18(3)25-16)15-28-13-5-4-7-22(28)23(30)27-19-8-10-20(11-9-19)29-14-6-12-24-29/h6,8-12,14,22H,4-5,7,13,15H2,1-3H3,(H,27,30)/p+1/t22-/m0/s1