N-[2-[1-[(5-chloranyl-1,3-dimethyl-pyrazol-4-yl)methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]-3-methyl-butanamide

Systemtic Name: N-[2-[1-[(5-chloranyl-1,3-dimethyl-pyrazol-4-yl)methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]-3-methyl-butanamide Openeye Name: N-[2-[1-[(5-chloro-1,3-dimethyl-pyrazol-4-yl)methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]-3-methyl-butanamide CAS Name: N-[2-[1-[(5-chloro-1,3-dimethyl-4-pyrazolyl)methyl]-4-piperidin-1-iumyl]-3-pyrazolyl]-3-methylbutanamide IUPAC Name: N-[2-[1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]-3-methylbutanamide Traditional Name: N-[2-[1-[(5-chloro-1,3-dimethyl-pyrazol-4-yl)methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]-3-methyl-butyramide Formula: C19H30ClN6O+ MolecularWeight: 393.9341

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C[NH+]2CCC(CC2)N3C(=CC=N3)NC(=O)CC(C)C)Cl)C

Isomeric SMILES

CC1=NN(C(=C1C[NH+]2CCC(CC2)N3C(=CC=N3)NC(=O)CC(C)C)Cl)C

InChI

InChI=1S/C19H29ClN6O/c1-13(2)11-18(27)22-17-5-8-21-26(17)15-6-9-25(10-7-15)12-16-14(3)23-24(4)19(16)20/h5,8,13,15H,6-7,9-12H2,1-4H3,(H,22,27)/p+1