1,5-dimethyl-2-phenyl-4-[(4-pyridin-1-ium-2-ylpiperazin-1-yl)methyl]pyrazol-3-one

Systemtic Name: 1,5-dimethyl-2-phenyl-4-[(4-pyridin-1-ium-2-ylpiperazin-1-yl)methyl]pyrazol-3-one Openeye Name: 1,5-dimethyl-2-phenyl-4-[(4-pyridin-1-ium-2-ylpiperazin-1-yl)methyl]pyrazol-3-one CAS Name: 1,5-dimethyl-2-phenyl-4-[[4-(2-pyridin-1-iumyl)-1-piperazinyl]methyl]-3-pyrazolone IUPAC Name: 1,5-dimethyl-2-phenyl-4-[(4-pyridin-1-ium-2-ylpiperazin-1-yl)methyl]pyrazol-3-one Traditional Name: 1,5-dimethyl-2-phenyl-4-[(4-pyridin-1-ium-2-ylpiperazino)methyl]-3-pyrazolin-3-one Formula: C21H26N5O+ MolecularWeight: 364.46404

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)CN3CCN(CC3)C4=CC=CC=[NH+]4

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)CN3CCN(CC3)C4=CC=CC=[NH+]4

InChI

InChI=1S/C21H25N5O/c1-17-19(21(27)26(23(17)2)18-8-4-3-5-9-18)16-24-12-14-25(15-13-24)20-10-6-7-11-22-20/h3-11H,12-16H2,1-2H3/p+1