(4-propan-2-yloxyphenyl)-[4-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperazin-4-ium-1-yl]methanone

Systemtic Name: (4-propan-2-yloxyphenyl)-[4-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperazin-4-ium-1-yl]methanone Openeye Name: (4-isopropoxyphenyl)-[4-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperazin-4-ium-1-yl]methanone CAS Name: (4-propan-2-yloxyphenyl)-[4-[(1,3,5-trimethyl-4-pyrazolyl)methyl]-1-piperazin-4-iumyl]methanone IUPAC Name: (4-propan-2-yloxyphenyl)-[4-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperazin-4-ium-1-yl]methanone Traditional Name: (4-isopropoxyphenyl)-[4-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperazin-4-ium-1-yl]methanone Formula: C21H31N4O2+ MolecularWeight: 371.49644

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C)C)C[NH+]2CCN(CC2)C(=O)C3=CC=C(C=C3)OC(C)C

Isomeric SMILES

CC1=C(C(=NN1C)C)C[NH+]2CCN(CC2)C(=O)C3=CC=C(C=C3)OC(C)C

InChI

InChI=1S/C21H30N4O2/c1-15(2)27-19-8-6-18(7-9-19)21(26)25-12-10-24(11-13-25)14-20-16(3)22-23(5)17(20)4/h6-9,15H,10-14H2,1-5H3/p+1