1-[4-[(3-chlorophenyl)methyl]piperazin-4-ium-1-yl]-3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propan-1-one

Systemtic Name: 1-[4-[(3-chlorophenyl)methyl]piperazin-4-ium-1-yl]-3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propan-1-one Openeye Name: 1-[4-[(3-chlorophenyl)methyl]piperazin-4-ium-1-yl]-3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propan-1-one CAS Name: 1-[4-[(3-chlorophenyl)methyl]-1-piperazin-4-iumyl]-3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-1-propanone IUPAC Name: 1-[4-[(3-chlorophenyl)methyl]piperazin-4-ium-1-yl]-3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propan-1-one Traditional Name: 1-[4-(3-chlorobenzyl)piperazin-4-ium-1-yl]-3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propan-1-one Formula: C21H26ClN6O+ MolecularWeight: 413.92374

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC2=NC=NN12)C)CCC(=O)N3CC[NH+](CC3)CC4=CC(=CC=C4)Cl

Isomeric SMILES

CC1=C(C(=NC2=NC=NN12)C)CCC(=O)N3CC[NH+](CC3)CC4=CC(=CC=C4)Cl

InChI

InChI=1S/C21H25ClN6O/c1-15-19(16(2)28-21(25-15)23-14-24-28)6-7-20(29)27-10-8-26(9-11-27)13-17-4-3-5-18(22)12-17/h3-5,12,14H,6-11,13H2,1-2H3/p+1