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

Systemtic Name: (3S)-N-(3-pyrazol-1-ylphenyl)-1-[(3,5,6-trimethylpyrazin-2-yl)methyl]piperidin-1-ium-3-carboxamide Openeye Name: (3S)-N-(3-pyrazol-1-ylphenyl)-1-[(3,5,6-trimethylpyrazin-2-yl)methyl]piperidin-1-ium-3-carboxamide CAS Name: (3S)-N-[3-(1-pyrazolyl)phenyl]-1-[(3,5,6-trimethyl-2-pyrazinyl)methyl]-3-piperidin-1-iumcarboxamide IUPAC Name: (3S)-N-(3-pyrazol-1-ylphenyl)-1-[(3,5,6-trimethylpyrazin-2-yl)methyl]piperidin-1-ium-3-carboxamide Traditional Name: (3S)-N-(3-pyrazol-1-ylphenyl)-1-[(3,5,6-trimethylpyrazin-2-yl)methyl]piperidin-1-ium-3-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+]2CCCC(C2)C(=O)NC3=CC=CC(=C3)N4C=CC=N4)C

Isomeric SMILES

CC1=C(N=C(C(=N1)C)C[NH+]2CCC[C@@H](C2)C(=O)NC3=CC=CC(=C3)N4C=CC=N4)C

InChI

InChI=1S/C23H28N6O/c1-16-17(2)26-22(18(3)25-16)15-28-11-5-7-19(14-28)23(30)27-20-8-4-9-21(13-20)29-12-6-10-24-29/h4,6,8-10,12-13,19H,5,7,11,14-15H2,1-3H3,(H,27,30)/p+1/t19-/m0/s1