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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)C1=NNC2=C1C[NH+](CC2)CC3=C(N(N=C3)C)C4=CC=CC=C4

Isomeric SMILES

CCC(CC)C1=NNC2=C1C[NH+](CC2)CC3=C(N(N=C3)C)C4=CC=CC=C4

InChI

InChI=1S/C22H29N5/c1-4-16(5-2)21-19-15-27(12-11-20(19)24-25-21)14-18-13-23-26(3)22(18)17-9-7-6-8-10-17/h6-10,13,16H,4-5,11-12,14-15H2,1-3H3,(H,24,25)/p+1