[1-[(4-phenylphenoxy)methyl]pyrazol-3-yl]-(4-propylpiperazin-4-ium-1-yl)methanone

Systemtic Name: [1-[(4-phenylphenoxy)methyl]pyrazol-3-yl]-(4-propylpiperazin-4-ium-1-yl)methanone Openeye Name: [1-[(4-phenylphenoxy)methyl]pyrazol-3-yl]-(4-propylpiperazin-4-ium-1-yl)methanone CAS Name: [1-[(4-phenylphenoxy)methyl]-3-pyrazolyl]-(4-propyl-1-piperazin-4-iumyl)methanone IUPAC Name: [1-[(4-phenylphenoxy)methyl]pyrazol-3-yl]-(4-propylpiperazin-4-ium-1-yl)methanone Traditional Name: [1-[(4-phenylphenoxy)methyl]pyrazol-3-yl]-(4-propylpiperazin-4-ium-1-yl)methanone Formula: C24H29N4O2+ MolecularWeight: 405.51266

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Descriptors Computed from Structure

Canonical SMILES:

CCC[NH+]1CCN(CC1)C(=O)C2=NN(C=C2)COC3=CC=C(C=C3)C4=CC=CC=C4

Isomeric SMILES

CCC[NH+]1CCN(CC1)C(=O)C2=NN(C=C2)COC3=CC=C(C=C3)C4=CC=CC=C4

InChI

InChI=1S/C24H28N4O2/c1-2-13-26-15-17-27(18-16-26)24(29)23-12-14-28(25-23)19-30-22-10-8-21(9-11-22)20-6-4-3-5-7-20/h3-12,14H,2,13,15-19H2,1H3/p+1