2-(3-methylphenyl)-5-phenyl-N-[1-(phenylmethyl)piperidin-1-ium-4-yl]pyrazolo[1,5-a]pyrimidin-7-amine

Systemtic Name: 2-(3-methylphenyl)-5-phenyl-N-[1-(phenylmethyl)piperidin-1-ium-4-yl]pyrazolo[1,5-a]pyrimidin-7-amine Openeye Name: N-(1-benzylpiperidin-1-ium-4-yl)-2-(m-tolyl)-5-phenyl-pyrazolo[1,5-a]pyrimidin-7-amine CAS Name: 2-(3-methylphenyl)-5-phenyl-N-[1-(phenylmethyl)-4-piperidin-1-iumyl]-7-pyrazolo[1,5-a]pyrimidinamine IUPAC Name: N-(1-benzylpiperidin-1-ium-4-yl)-2-(3-methylphenyl)-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine Traditional Name: (1-benzylpiperidin-1-ium-4-yl)-[2-(m-tolyl)-5-phenyl-pyrazolo[1,5-a]pyrimidin-7-yl]amine Formula: C31H32N5+ MolecularWeight: 474.61928

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C2=NN3C(=C2)N=C(C=C3NC4CC[NH+](CC4)CC5=CC=CC=C5)C6=CC=CC=C6

Isomeric SMILES

CC1=CC=CC(=C1)C2=NN3C(=C2)N=C(C=C3NC4CC[NH+](CC4)CC5=CC=CC=C5)C6=CC=CC=C6

InChI

InChI=1S/C31H31N5/c1-23-9-8-14-26(19-23)29-21-31-33-28(25-12-6-3-7-13-25)20-30(36(31)34-29)32-27-15-17-35(18-16-27)22-24-10-4-2-5-11-24/h2-14,19-21,27,32H,15-18,22H2,1H3/p+1