5-methyl-3-(4-methylphenyl)-7-[4-(2-naphthalen-1-yloxyethyl)piperazin-4-ium-1-yl]pyrazolo[1,5-a]pyrimidine

Systemtic Name: 5-methyl-3-(4-methylphenyl)-7-[4-(2-naphthalen-1-yloxyethyl)piperazin-4-ium-1-yl]pyrazolo[1,5-a]pyrimidine Openeye Name: 5-methyl-7-[4-[2-(1-naphthyloxy)ethyl]piperazin-4-ium-1-yl]-3-(p-tolyl)pyrazolo[1,5-a]pyrimidine CAS Name: 5-methyl-3-(4-methylphenyl)-7-[4-[2-(1-naphthalenyloxy)ethyl]-1-piperazin-4-iumyl]pyrazolo[1,5-a]pyrimidine IUPAC Name: 5-methyl-3-(4-methylphenyl)-7-[4-(2-naphthalen-1-yloxyethyl)piperazin-4-ium-1-yl]pyrazolo[1,5-a]pyrimidine Traditional Name: 5-methyl-7-[4-[2-(1-naphthoxy)ethyl]piperazin-4-ium-1-yl]-3-(p-tolyl)pyrazolo[1,5-a]pyrimidine Formula: C30H32N5O+ MolecularWeight: 478.60798

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=C3N=C(C=C(N3N=C2)N4CC[NH+](CC4)CCOC5=CC=CC6=CC=CC=C65)C

Isomeric SMILES

CC1=CC=C(C=C1)C2=C3N=C(C=C(N3N=C2)N4CC[NH+](CC4)CCOC5=CC=CC6=CC=CC=C65)C

InChI

InChI=1S/C30H31N5O/c1-22-10-12-25(13-11-22)27-21-31-35-29(20-23(2)32-30(27)35)34-16-14-33(15-17-34)18-19-36-28-9-5-7-24-6-3-4-8-26(24)28/h3-13,20-21H,14-19H2,1-2H3/p+1