3-methyl-N-[2-[1-[[3-(2-methylpropyl)-1H-pyrazol-5-yl]methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]butanamide

Systemtic Name: 3-methyl-N-[2-[1-[[3-(2-methylpropyl)-1H-pyrazol-5-yl]methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]butanamide Openeye Name: N-[2-[1-[(3-isobutyl-1H-pyrazol-5-yl)methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]-3-methyl-butanamide CAS Name: 3-methyl-N-[2-[1-[[3-(2-methylpropyl)-1H-pyrazol-5-yl]methyl]-4-piperidin-1-iumyl]-3-pyrazolyl]butanamide IUPAC Name: 3-methyl-N-[2-[1-[[3-(2-methylpropyl)-1H-pyrazol-5-yl]methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]butanamide Traditional Name: N-[2-[1-[(3-isobutyl-1H-pyrazol-5-yl)methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]-3-methyl-butyramide Formula: C21H35N6O+ MolecularWeight: 387.5422

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=NNC(=C1)C[NH+]2CCC(CC2)N3C(=CC=N3)NC(=O)CC(C)C

Isomeric SMILES

CC(C)CC1=NNC(=C1)C[NH+]2CCC(CC2)N3C(=CC=N3)NC(=O)CC(C)C

InChI

InChI=1S/C21H34N6O/c1-15(2)11-17-13-18(25-24-17)14-26-9-6-19(7-10-26)27-20(5-8-22-27)23-21(28)12-16(3)4/h5,8,13,15-16,19H,6-7,9-12,14H2,1-4H3,(H,23,28)(H,24,25)/p+1