2-[5-methyl-3-(4-methylpiperazin-4-ium-1-yl)carbonyl-pyrazol-1-yl]-1-[(3S)-3-methylpiperidin-1-yl]ethanone

Systemtic Name: 2-[5-methyl-3-(4-methylpiperazin-4-ium-1-yl)carbonyl-pyrazol-1-yl]-1-[(3S)-3-methylpiperidin-1-yl]ethanone Openeye Name: 2-[5-methyl-3-(4-methylpiperazin-4-ium-1-carbonyl)pyrazol-1-yl]-1-[(3S)-3-methyl-1-piperidyl]ethanone CAS Name: 2-[5-methyl-3-[(4-methyl-1-piperazin-4-iumyl)-oxomethyl]-1-pyrazolyl]-1-[(3S)-3-methyl-1-piperidinyl]ethanone IUPAC Name: 2-[5-methyl-3-(4-methylpiperazin-4-ium-1-carbonyl)pyrazol-1-yl]-1-[(3S)-3-methylpiperidin-1-yl]ethanone Traditional Name: 2-[5-methyl-3-(4-methylpiperazin-4-ium-1-carbonyl)pyrazol-1-yl]-1-[(3S)-3-methylpiperidino]ethanone Formula: C18H30N5O2+ MolecularWeight: 348.4631

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)C(=O)CN2C(=CC(=N2)C(=O)N3CC[NH+](CC3)C)C

Isomeric SMILES

C[C@H]1CCCN(C1)C(=O)CN2C(=CC(=N2)C(=O)N3CC[NH+](CC3)C)C

InChI

InChI=1S/C18H29N5O2/c1-14-5-4-6-22(12-14)17(24)13-23-15(2)11-16(19-23)18(25)21-9-7-20(3)8-10-21/h11,14H,4-10,12-13H2,1-3H3/p+1/t14-/m0/s1