5-[(3-methyl-1-propyl-pyrazol-4-yl)methyl]-3-phenethyl-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-5-ium

Systemtic Name: 5-[(3-methyl-1-propyl-pyrazol-4-yl)methyl]-3-phenethyl-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-5-ium Openeye Name: 5-[(3-methyl-1-propyl-pyrazol-4-yl)methyl]-3-phenethyl-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-5-ium CAS Name: 5-[(3-methyl-1-propyl-4-pyrazolyl)methyl]-3-phenethyl-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-5-ium IUPAC Name: 5-[(3-methyl-1-propylpyrazol-4-yl)methyl]-3-phenethyl-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-5-ium Traditional Name: 5-[(3-methyl-1-propyl-pyrazol-4-yl)methyl]-3-phenethyl-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-5-ium Formula: C22H30N5+ MolecularWeight: 364.5071

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCN1C=C(C(=N1)C)C[NH+]2CCC3=C(C2)C(=NN3)CCC4=CC=CC=C4

Isomeric SMILES

CCCN1C=C(C(=N1)C)C[NH+]2CCC3=C(C2)C(=NN3)CCC4=CC=CC=C4

InChI

InChI=1S/C22H29N5/c1-3-12-27-15-19(17(2)25-27)14-26-13-11-22-20(16-26)21(23-24-22)10-9-18-7-5-4-6-8-18/h4-8,15H,3,9-14,16H2,1-2H3,(H,23,24)/p+1