isoquinolin-5-ylmethyl-methyl-[(5-naphthalen-1-yl-1H-pyrazol-4-yl)methyl]azanium

Systemtic Name: isoquinolin-5-ylmethyl-methyl-[(5-naphthalen-1-yl-1H-pyrazol-4-yl)methyl]azanium Openeye Name: 5-isoquinolylmethyl-methyl-[[5-(1-naphthyl)-1H-pyrazol-4-yl]methyl]ammonium CAS Name: 5-isoquinolinylmethyl-methyl-[[5-(1-naphthalenyl)-1H-pyrazol-4-yl]methyl]ammonium IUPAC Name: isoquinolin-5-ylmethyl-methyl-[(5-naphthalen-1-yl-1H-pyrazol-4-yl)methyl]azanium Traditional Name: 5-isoquinolylmethyl-methyl-[[5-(1-naphthyl)-1H-pyrazol-4-yl]methyl]ammonium Formula: C25H23N4+ MolecularWeight: 379.47692

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CC=CC2=C1C=CN=C2)CC3=C(NN=C3)C4=CC=CC5=CC=CC=C54

Isomeric SMILES

C[NH+](CC1=CC=CC2=C1C=CN=C2)CC3=C(NN=C3)C4=CC=CC5=CC=CC=C54

InChI

InChI=1S/C25H22N4/c1-29(16-20-9-4-8-19-14-26-13-12-22(19)20)17-21-15-27-28-25(21)24-11-5-7-18-6-2-3-10-23(18)24/h2-15H,16-17H2,1H3,(H,27,28)/p+1