3-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]propyl-[(1,3,5-trimethylpyrazol-4-yl)methyl]azanium

Systemtic Name: 3-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]propyl-[(1,3,5-trimethylpyrazol-4-yl)methyl]azanium Openeye Name: 3-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]propyl-[(1,3,5-trimethylpyrazol-4-yl)methyl]ammonium CAS Name: 3-[4-(4-methoxyphenyl)-1-piperazin-1-iumyl]propyl-[(1,3,5-trimethyl-4-pyrazolyl)methyl]ammonium IUPAC Name: 3-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]propyl-[(1,3,5-trimethylpyrazol-4-yl)methyl]azanium Traditional Name: 3-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]propyl-[(1,3,5-trimethylpyrazol-4-yl)methyl]ammonium Formula: C21H35N5O+2 MolecularWeight: 373.5355

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C)C)C[NH2+]CCC[NH+]2CCN(CC2)C3=CC=C(C=C3)OC

Isomeric SMILES

CC1=C(C(=NN1C)C)C[NH2+]CCC[NH+]2CCN(CC2)C3=CC=C(C=C3)OC

InChI

InChI=1S/C21H33N5O/c1-17-21(18(2)24(3)23-17)16-22-10-5-11-25-12-14-26(15-13-25)19-6-8-20(27-4)9-7-19/h6-9,22H,5,10-16H2,1-4H3/p+2