[1-[4-(3-methoxyphenyl)pyrimidin-2-yl]-5-methyl-pyrazol-4-yl]-(4-propylpiperazin-4-ium-1-yl)methanone

Systemtic Name: [1-[4-(3-methoxyphenyl)pyrimidin-2-yl]-5-methyl-pyrazol-4-yl]-(4-propylpiperazin-4-ium-1-yl)methanone Openeye Name: [1-[4-(3-methoxyphenyl)pyrimidin-2-yl]-5-methyl-pyrazol-4-yl]-(4-propylpiperazin-4-ium-1-yl)methanone CAS Name: [1-[4-(3-methoxyphenyl)-2-pyrimidinyl]-5-methyl-4-pyrazolyl]-(4-propyl-1-piperazin-4-iumyl)methanone IUPAC Name: [1-[4-(3-methoxyphenyl)pyrimidin-2-yl]-5-methylpyrazol-4-yl]-(4-propylpiperazin-4-ium-1-yl)methanone Traditional Name: [1-[4-(3-methoxyphenyl)pyrimidin-2-yl]-5-methyl-pyrazol-4-yl]-(4-propylpiperazin-4-ium-1-yl)methanone Formula: C23H29N6O2+ MolecularWeight: 421.51536

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Descriptors Computed from Structure

Canonical SMILES:

CCC[NH+]1CCN(CC1)C(=O)C2=C(N(N=C2)C3=NC=CC(=N3)C4=CC(=CC=C4)OC)C

Isomeric SMILES

CCC[NH+]1CCN(CC1)C(=O)C2=C(N(N=C2)C3=NC=CC(=N3)C4=CC(=CC=C4)OC)C

InChI

InChI=1S/C23H28N6O2/c1-4-10-27-11-13-28(14-12-27)22(30)20-16-25-29(17(20)2)23-24-9-8-21(26-23)18-6-5-7-19(15-18)31-3/h5-9,15-16H,4,10-14H2,1-3H3/p+1