(3S)-1-[(2-methyl-4-pyrazol-1-yl-phenyl)methyl]-N-[4-(1H-pyrazol-5-yl)phenyl]piperidin-1-ium-3-carboxamide

Systemtic Name: (3S)-1-[(2-methyl-4-pyrazol-1-yl-phenyl)methyl]-N-[4-(1H-pyrazol-5-yl)phenyl]piperidin-1-ium-3-carboxamide Openeye Name: (3S)-1-[(2-methyl-4-pyrazol-1-yl-phenyl)methyl]-N-[4-(1H-pyrazol-5-yl)phenyl]piperidin-1-ium-3-carboxamide CAS Name: (3S)-1-[[2-methyl-4-(1-pyrazolyl)phenyl]methyl]-N-[4-(1H-pyrazol-5-yl)phenyl]-3-piperidin-1-iumcarboxamide IUPAC Name: (3S)-1-[(2-methyl-4-pyrazol-1-ylphenyl)methyl]-N-[4-(1H-pyrazol-5-yl)phenyl]piperidin-1-ium-3-carboxamide Traditional Name: (3S)-1-(2-methyl-4-pyrazol-1-yl-benzyl)-N-[4-(1H-pyrazol-5-yl)phenyl]piperidin-1-ium-3-carboxamide Formula: C26H29N6O+ MolecularWeight: 441.54806

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)N2C=CC=N2)C[NH+]3CCCC(C3)C(=O)NC4=CC=C(C=C4)C5=CC=NN5

Isomeric SMILES

CC1=C(C=CC(=C1)N2C=CC=N2)C[NH+]3CCC[C@@H](C3)C(=O)NC4=CC=C(C=C4)C5=CC=NN5

InChI

InChI=1S/C26H28N6O/c1-19-16-24(32-15-3-12-28-32)10-7-21(19)17-31-14-2-4-22(18-31)26(33)29-23-8-5-20(6-9-23)25-11-13-27-30-25/h3,5-13,15-16,22H,2,4,14,17-18H2,1H3,(H,27,30)(H,29,33)/p+1/t22-/m0/s1