(4-methoxy-1-phenyl-pyrazol-3-yl)-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanone

Systemtic Name: (4-methoxy-1-phenyl-pyrazol-3-yl)-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanone Openeye Name: (4-methoxy-1-phenyl-pyrazol-3-yl)-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanone CAS Name: (4-methoxy-1-phenyl-3-pyrazolyl)-[4-(2-pyridin-1-iumyl)-1-piperazinyl]methanone IUPAC Name: (4-methoxy-1-phenylpyrazol-3-yl)-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanone Traditional Name: (4-methoxy-1-phenyl-pyrazol-3-yl)-(4-pyridin-1-ium-2-ylpiperazino)methanone Formula: C20H22N5O2+ MolecularWeight: 364.42098

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CN(N=C1C(=O)N2CCN(CC2)C3=CC=CC=[NH+]3)C4=CC=CC=C4

Isomeric SMILES

COC1=CN(N=C1C(=O)N2CCN(CC2)C3=CC=CC=[NH+]3)C4=CC=CC=C4

InChI

InChI=1S/C20H21N5O2/c1-27-17-15-25(16-7-3-2-4-8-16)22-19(17)20(26)24-13-11-23(12-14-24)18-9-5-6-10-21-18/h2-10,15H,11-14H2,1H3/p+1