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

Systemtic Name: (3S)-1-[(5-methyl-1-propyl-pyrazol-4-yl)methyl]-N-[4-(1H-pyrazol-5-yl)phenyl]piperidin-1-ium-3-carboxamide Openeye Name: (3S)-1-[(5-methyl-1-propyl-pyrazol-4-yl)methyl]-N-[4-(1H-pyrazol-5-yl)phenyl]piperidin-1-ium-3-carboxamide CAS Name: (3S)-1-[(5-methyl-1-propyl-4-pyrazolyl)methyl]-N-[4-(1H-pyrazol-5-yl)phenyl]-3-piperidin-1-iumcarboxamide IUPAC Name: (3S)-1-[(5-methyl-1-propylpyrazol-4-yl)methyl]-N-[4-(1H-pyrazol-5-yl)phenyl]piperidin-1-ium-3-carboxamide Traditional Name: (3S)-1-[(5-methyl-1-propyl-pyrazol-4-yl)methyl]-N-[4-(1H-pyrazol-5-yl)phenyl]piperidin-1-ium-3-carboxamide Formula: C23H31N6O+ MolecularWeight: 407.53184

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=C(C=N1)C[NH+]2CCCC(C2)C(=O)NC3=CC=C(C=C3)C4=CC=NN4)C

Isomeric SMILES

CCCN1C(=C(C=N1)C[NH+]2CCC[C@@H](C2)C(=O)NC3=CC=C(C=C3)C4=CC=NN4)C

InChI

InChI=1S/C23H30N6O/c1-3-12-29-17(2)20(14-25-29)16-28-13-4-5-19(15-28)23(30)26-21-8-6-18(7-9-21)22-10-11-24-27-22/h6-11,14,19H,3-5,12-13,15-16H2,1-2H3,(H,24,27)(H,26,30)/p+1/t19-/m0/s1