N-[2-[1-[2-(azepan-1-ium-1-yl)ethanoyl]piperidin-4-yl]pyrazol-3-yl]-3-methyl-butanamide

Systemtic Name: N-[2-[1-[2-(azepan-1-ium-1-yl)ethanoyl]piperidin-4-yl]pyrazol-3-yl]-3-methyl-butanamide Openeye Name: N-[2-[1-[2-(azepan-1-ium-1-yl)acetyl]-4-piperidyl]pyrazol-3-yl]-3-methyl-butanamide CAS Name: N-[2-[1-[2-(1-azepan-1-iumyl)-1-oxoethyl]-4-piperidinyl]-3-pyrazolyl]-3-methylbutanamide IUPAC Name: N-[2-[1-[2-(azepan-1-ium-1-yl)acetyl]piperidin-4-yl]pyrazol-3-yl]-3-methylbutanamide Traditional Name: N-[2-[1-[2-(azepan-1-ium-1-yl)acetyl]-4-piperidyl]pyrazol-3-yl]-3-methyl-butyramide Formula: C21H36N5O2+ MolecularWeight: 390.54284

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)NC1=CC=NN1C2CCN(CC2)C(=O)C[NH+]3CCCCCC3

Isomeric SMILES

CC(C)CC(=O)NC1=CC=NN1C2CCN(CC2)C(=O)C[NH+]3CCCCCC3

InChI

InChI=1S/C21H35N5O2/c1-17(2)15-20(27)23-19-7-10-22-26(19)18-8-13-25(14-9-18)21(28)16-24-11-5-3-4-6-12-24/h7,10,17-18H,3-6,8-9,11-16H2,1-2H3,(H,23,27)/p+1