(1-butyl-5-chloranyl-3-methyl-pyrazol-4-yl)-(4-pyridin-1-ium-4-ylpiperazin-1-yl)methanone

Systemtic Name: (1-butyl-5-chloranyl-3-methyl-pyrazol-4-yl)-(4-pyridin-1-ium-4-ylpiperazin-1-yl)methanone Openeye Name: (1-butyl-5-chloro-3-methyl-pyrazol-4-yl)-(4-pyridin-1-ium-4-ylpiperazin-1-yl)methanone CAS Name: (1-butyl-5-chloro-3-methyl-4-pyrazolyl)-[4-(4-pyridin-1-iumyl)-1-piperazinyl]methanone IUPAC Name: (1-butyl-5-chloro-3-methylpyrazol-4-yl)-(4-pyridin-1-ium-4-ylpiperazin-1-yl)methanone Traditional Name: (1-butyl-5-chloro-3-methyl-pyrazol-4-yl)-(4-pyridin-1-ium-4-ylpiperazino)methanone Formula: C18H25ClN5O+ MolecularWeight: 362.877

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=C(C(=N1)C)C(=O)N2CCN(CC2)C3=CC=[NH+]C=C3)Cl

Isomeric SMILES

CCCCN1C(=C(C(=N1)C)C(=O)N2CCN(CC2)C3=CC=[NH+]C=C3)Cl

InChI

InChI=1S/C18H24ClN5O/c1-3-4-9-24-17(19)16(14(2)21-24)18(25)23-12-10-22(11-13-23)15-5-7-20-8-6-15/h5-8H,3-4,9-13H2,1-2H3/p+1